Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46871 | Target Info | |||
| Target Name | SH2 domain inositol 5'-phosphatase 1 (INPP5D) | ||||
| Synonyms | p150Ship; hp51CN; SIP145; SIP-145; SHIP1; SHIP-1; SHIP; SH2 domaincontaining inositol phosphatase 1; SH2 domaincontaining inositol 5'phosphatase 1; SH2 domain-containing inositol phosphatase 1; SH2 domain-containing inositol 5'-phosphatase 1; Phosphatidylinositol 3,4,5trisphosphate 5phosphatase 1; Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1; Inositol polyphosphate5phosphatase of 145 kDa; Inositol polyphosphate-5-phosphatase of 145 kDa | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | INPP5D | ||||
| Biochemical Class | Phosphoric monoester hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 1-Benzyl-4-pyrrol-1-yl-piperidine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434898 | PDB:5RWO | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [1] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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| Ligand Name: 1-[(Furan-2-yl)methyl]-4-(methylsulfonyl)piperazine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2241115980 | PDB:5RWW | ||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | No | [2] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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| Ligand Name: (3-Fluoro-benzyl)-furan-2-ylmethyl-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2737076969 | PDB:5RW2 | ||||
| Method | X-ray diffraction | Resolution | 1.22 Å | Mutation | No | [3] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T0V or .T0V2 or .T0V3 or :3T0V;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:499 or .A:500 or .A:501 or .A:502 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-chloro-N-(1,2-oxazol-3-yl)benzamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z86622311 | PDB:5RW7 | ||||
| Method | X-ray diffraction | Resolution | 1.23 Å | Mutation | No | [4] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WMY or .WMY2 or .WMY3 or :3WMY;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:493 or .A:498 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(3,4-Difluorobenzoyl)-4-methylpiperazine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434829 | PDB:5RXA | ||||
| Method | X-ray diffraction | Resolution | 1.24 Å | Mutation | No | [5] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ELQ or .ELQ2 or .ELQ3 or :3ELQ;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504 or .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(Thiophen-3-ylmethyl)piperidin-4-ol | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434899 | PDB:5RWB | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [6] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T0Y or .T0Y2 or .T0Y3 or :3T0Y;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633 or .A:764 or .A:765 or .A:766 or .A:778 or .A:779 or .A:780 or .A:782; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Methyl-1-[(oxan-4-yl)amino]propan-2-ol | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1103351268 | PDB:5RWV | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [7] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WND or .WND2 or .WND3 or :3WND;style chemicals stick;color identity;select .A:631 or .A:633 or .A:676 or .A:677 or .A:678 or .A:679 or .A:680 or .A:681 or .A:682 or .A:684; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-chloropyridin-3-yl)butanamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z240654968 | PDB:5RXE | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [8] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNS or .WNS2 or .WNS3 or :3WNS;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:498 or .A:501 or .A:502 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(4-fluorophenyl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434824 | PDB:5RWJ | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | No | [9] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AXS or .AXS2 or .AXS3 or :3AXS;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:499 or .A:501 or .A:502 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(5-Azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2074076908 | PDB:5RXF | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | No | [10] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLG or .WLG2 or .WLG3 or :3WLG;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:481 or .A:498 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3R)-N-benzylpyrrolidin-3-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1827898537 | PDB:5RX2 | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [11] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WP4 or .WP42 or .WP43 or :3WP4;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3S)-N-benzylpyrrolidin-3-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1827898537 | PDB:5RX2 | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [11] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WM7 or .WM72 or .WM73 or :3WM7;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:497 or .A:498 or .A:499 or .A:501 or .A:502 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-fluorophenyl)-3-methoxybenzamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z28290384 | PDB:5RW8 | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [12] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WN1 or .WN12 or .WN13 or :3WN1;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:481 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2443429438 | PDB:5RX5 | ||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | No | [13] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNM or .WNM2 or .WNM3 or :3WNM;style chemicals stick;color identity;select .A:419 or .A:462 or .A:463 or .A:466; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1478435544 | PDB:5RWS | ||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | No | [14] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WN7 or .WN72 or .WN73 or :3WN7;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(2,6-Difluorobenzoyl)azepane | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z54226095 | PDB:5RX9 | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [15] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLJ or .WLJ2 or .WLJ3 or :3WLJ;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-(Furan-2-ylmethyl)-1,4-thiazinane 1,1-dioxide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434926 | PDB:5RWI | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [16] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O3D or .O3D2 or .O3D3 or :3O3D;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenol | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434812 | PDB:5RWA | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [17] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O3M or .O3M2 or .O3M3 or :3O3M;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:734 or .A:735 or .A:736 or .A:768 or .A:769 or .A:770 or .A:771 or .A:776 or .A:778 or .A:779 or .A:780; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: trans-3-[(2,6-Dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1675346324 | PDB:5RWD | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [18] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NUJ or .NUJ2 or .NUJ3 or :3NUJ;style chemicals stick;color identity;select .A:503 or .A:505 or .A:526 or .A:527 or .A:528 or .A:533 or .A:565 or .A:566 or .A:567 or .A:578 or .A:620 or .A:621 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633 or .A:754; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(1R)-1-(2-fluorophenyl)ethyl]piperazine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2466069494 | PDB:5RX1 | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [19] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WMD or .WMD2 or .WMD3 or :3WMD;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:494 or .A:495 or .A:497 or .A:498 or .A:499 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(1S)-1-(2-fluorophenyl)ethyl]piperazine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2466069494 | PDB:5RX1 | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [19] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WMG or .WMG2 or .WMG3 or :3WMG;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-fluorophenyl)-2-phenoxyacetamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z19735192 | PDB:5RW4 | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [20] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLV or .WLV2 or .WLV3 or :3WLV;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:481 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-N-(6-methylpyridin-2-yl)pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1267881672 | PDB:5RWK | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [21] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WN4 or .WN42 or .WN43 or :3WN4;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:494 or .A:497 or .A:498 or .A:499 or .A:501 or .A:502 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4-Methoxyphenyl)(piperidin-4-yl)methanone | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1741973467 | PDB:5RYA | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [22] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKP or .WKP2 or .WKP3 or :3WKP;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:482 or .A:483 or .A:484 or .A:485 or .A:493 or .A:494 or .A:495 or .A:497 or .A:498 or .A:501 or .A:502 or .A:504 or .A:508 or .A:510 or .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS477
3.294
THR478
3.334
VAL479
3.470
HIS482
3.563
THR483
2.867
LEU484
3.586
TRP485
2.971
ALA493
3.643
LYS494
3.164
PRO495
4.286
HIS497
3.857
|
|||||
| Ligand Name: 1-Phenyl-3-pyridin-3-ylurea | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z44592329 | PDB:5RWQ | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [23] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K0G or .K0G2 or .K0G3 or :3K0G;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Pyridin-4-ylmethyl-thiophen-2-ylmethylamine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434816 | PDB:5RW6 | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [24] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLS or .WLS2 or .WLS3 or :3WLS;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:497 or .A:498 or .A:499 or .A:500 or .A:501 or .A:502 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chlorophenyl)-2,2,2-trifluoroacetamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z111810692 | PDB:5RXD | ||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | No | [25] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNP or .WNP2 or .WNP3 or :3WNP;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-(3-Phenylpropyl)piperazin-1-yl]ethan-1-one | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434884 | PDB:5RX8 | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | No | [26] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O3J or .O3J2 or .O3J3 or :3O3J;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:481 or .A:497 or .A:498 or .A:501 or .A:504 or .A:506 or .A:620 or .A:623 or .A:624 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(3-Chlorobenzyl)morpholine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434856 | PDB:5RXW | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | No | [27] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T1S or .T1S2 or .T1S3 or :3T1S;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:499 or .A:501 or .A:502 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[2-(Phenylsulfanyl)ethyl]morpholine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434865 | PDB:5RWE | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | No | [28] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JJG or .JJG2 or .JJG3 or :3JJG;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z44567722 | PDB:5RWX | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | No | [29] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K0V or .K0V2 or .K0V3 or :3K0V;style chemicals stick;color identity;select .A:716 or .A:717 or .A:718; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1983897532 | PDB:5RWF | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [30] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WMS or .WMS2 or .WMS3 or :3WMS;style chemicals stick;color identity;select .A:614 or .A:615 or .A:620 or .A:621 or .A:623 or .A:624 or .A:632; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-chlorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]urea | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1593306637 | PDB:5RX4 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [31] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H0D or .H0D2 or .H0D3 or :3H0D;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:494 or .A:497 or .A:498 or .A:501 or .A:504 or .A:620 or .A:623 or .A:624 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: {1-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1259335913 | PDB:5RWY | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [32] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RWV or .RWV2 or .RWV3 or :3RWV;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1545196403 | PDB:5RX7 | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [33] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UWV or .UWV2 or .UWV3 or :3UWV;style chemicals stick;color identity;select .A:614 or .A:615 or .A:616 or .A:617 or .A:619 or .A:620 or .A:621 or .A:623 or .A:624; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z136583524 | PDB:5RWM | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [34] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NU4 or .NU42 or .NU43 or :3NU4;style chemicals stick;color identity;select .A:831 or .A:832 or .A:833 or .A:845 or .A:847 or .A:848; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-methyl-N-(2-methylbenzyl)-1H-tetrazol-5-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z57778470 | PDB:5RWU | ||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | No | [35] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNA or .WNA2 or .WNA3 or :3WNA;style chemicals stick;color identity;select .A:420 or .A:422 or .A:426 or .A:428 or .A:436 or .A:437 or .A:439 or .A:440 or .A:470 or .A:471; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(3R)-3-Aminopiperidin-1-yl]-4,4,4-trifluorobutan-1-one | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1818332938 | PDB:5RXS | ||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | No | [36] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S8G or .S8G2 or .S8G3 or :3S8G;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633 or .A:716 or .A:717 or .A:718; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2064898339 | PDB:5RW3 | ||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | No | [37] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLY or .WLY2 or .WLY3 or :3WLY;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(1,4-Oxazepan-4-YL)pyridine-2-carbonitrile | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1348371854 | PDB:5RWL | ||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | No | [38] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NTG or .NTG2 or .NTG3 or :3NTG;style chemicals stick;color identity;select .A:503 or .A:505 or .A:526 or .A:527 or .A:528 or .A:533 or .A:534 or .A:565 or .A:566 or .A:567 or .A:568 or .A:578; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1310876699 | PDB:5RWN | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [39] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U0V or .U0V2 or .U0V3 or :3U0V;style chemicals stick;color identity;select .A:420 or .A:422 or .A:426 or .A:440 or .A:470 or .A:471 or .A:472 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z69092635 | PDB:5RW5 | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [40] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WMV or .WMV2 or .WMV3 or :3WMV;style chemicals stick;color identity;select .A:420 or .A:422 or .A:426 or .A:439 or .A:440 or .A:470 or .A:471 or .A:472 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[(4-Methyl-1h-Imidazol-5-Yl)methyl]-1,2,3,4-Tetrahydroisoquinoline | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434879 | PDB:5RWC | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [41] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2L1 or .2L12 or .2L13 or :32L1;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N,N-dimethyl-2,3-dimethylbenzamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z32014663 | PDB:5RXY | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [42] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNV or .WNV2 or .WNV3 or :3WNV;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-methylpyridin-4-yl)acetamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1148747945 | PDB:5RXR | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [43] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKY or .WKY2 or .WKY3 or :3WKY;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:629 or .A:630 or .A:631 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3-cyclopropyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2177153697 | PDB:5RYJ | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [44] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WOD or .WOD2 or .WOD3 or :3WOD;style chemicals stick;color identity;select .A:440 or .A:469 or .A:470 or .A:471 or .A:472 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Fluoro-4-(piperazin-1-yl)benzonitrile | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z939944666 | PDB:5RXH | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [45] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WK7 or .WK72 or .WK73 or :3WK7;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:494 or .A:497 or .A:498 or .A:501 or .A:504 or .A:620 or .A:621 or .A:623 or .A:624 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z57299529 | PDB:5RWZ | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [46] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNG or .WNG2 or .WNG3 or :3WNG;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(2-Azaspiro[5.6]dodecan-2-yl)ethan-1-one | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1275599911 | PDB:5RXX | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [47] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKG or .WKG2 or .WKG3 or :3WKG;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: n-Benzyl-1-(4-fluorophenyl)methanamine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434783 | PDB:5RWR | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [48] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O3G or .O3G2 or .O3G3 or :3O3G;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:499 or .A:500 or .A:501 or .A:502 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z57258487 | PDB:5RX0 | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [49] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NVD or .NVD2 or .NVD3 or :3NVD;style chemicals stick;color identity;select .A:440 or .A:469 or .A:470 or .A:471 or .A:472 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methanol | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1374778753 | PDB:5RY8 | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [50] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B1J or .B1J2 or .B1J3 or :3B1J;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:494 or .A:497 or .A:498 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [4-(Cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z32327641 | PDB:5RWT | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [51] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JMM or .JMM2 or .JMM3 or :3JMM;style chemicals stick;color identity;select .A:620 or .A:623 or .A:632 or .A:633 or .A:634 or .A:635 or .A:636 or .A:637; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z203581214 | PDB:5RW9 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [52] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QKZ or .QKZ2 or .QKZ3 or :3QKZ;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z30620520 | PDB:5RX6 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [53] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GX4 or .GX42 or .GX43 or :3GX4;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-acetylphenyl)morpholine-4-carboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z274555794 | PDB:5RYI | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [54] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NZ4 or .NZ42 or .NZ43 or :3NZ4;style chemicals stick;color identity;select .A:614 or .A:620 or .A:623 or .A:624 or .A:634 or .A:635 or .A:636 or .A:637 or .A:673; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-{[(3R)-pyrrolidin-3-yl]methyl}pyridin-2-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1262327505 | PDB:5RX3 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [55] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNJ or .WNJ2 or .WNJ3 or :3WNJ;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(4-Methylpiperazin-1-yl)benzonitrile | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434840 | PDB:5RXK | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [56] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RXJ or .RXJ2 or .RXJ3 or :3RXJ;style chemicals stick;color identity;select .A:620 or .A:621 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Morpholine, 4-((2,4-dimethylphenoxy)acetyl)- | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z17497990 | PDB:5RWG | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [57] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S07 or .S072 or .S073 or :3S07;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:481 or .A:493 or .A:494 or .A:497 or .A:498 or .A:501 or .A:502 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434894 | PDB:5RXM | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [58] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GWV or .GWV2 or .GWV3 or :3GWV;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Acetylhomopiperazine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z168883358 | PDB:5RYG | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [59] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WO7 or .WO72 or .WO73 or :3WO7;style chemicals stick;color identity;select .A:440 or .A:470 or .A:471 or .A:472 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(3-fluorophenyl)methyl]-N-methylaminosulfonamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z300245038 | PDB:5RY4 | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [60] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O0P or .O0P2 or .O0P3 or :3O0P;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:502 or .A:503 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z915492990 | PDB:5RWP | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [61] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JO1 or .JO12 or .JO13 or :3JO1;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1266823232 | PDB:5RYF | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [62] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WHV or .WHV2 or .WHV3 or :3WHV;style chemicals stick;color identity;select .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1673618163 | PDB:5RXL | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [63] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WL7 or .WL72 or .WL73 or :3WL7;style chemicals stick;color identity;select .A:420 or .A:422 or .A:423 or .A:426 or .A:428 or .A:436 or .A:439 or .A:694; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Chlorothiophenol | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z45527714 | PDB:5RXV | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [64] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLP or .WLP2 or .WLP3 or :3WLP;style chemicals stick;color identity;select .A:504 or .A:505 or .A:563 or .A:564 or .A:565 or .A:567 or .A:577; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-(2,1,3-Benzoxadiazol-4-yl)acetamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2027158783 | PDB:5RY3 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [65] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKA or .WKA2 or .WKA3 or :3WKA;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434909 | PDB:5RXG | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [66] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLD or .WLD2 or .WLD3 or :3WLD;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3R)-1-methylpiperidin-3-yl furan-2-carboxylate | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2940170964 | PDB:5RY1 | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [67] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WO1 or .WO12 or .WO13 or :3WO1;style chemicals stick;color identity;select .A:549 or .A:552 or .A:553 or .A:556 or .A:626 or .A:627 or .A:841; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z274575916 | PDB:5RY9 | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [68] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKS or .WKS2 or .WKS3 or :3WKS;style chemicals stick;color identity;select .A:503 or .A:505 or .A:526 or .A:527 or .A:528 or .A:533 or .A:565 or .A:566 or .A:567 or .A:578 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(1H-imidazol-1-yl)ethyl dimethylcarbamate | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1722836661 | PDB:5RXJ | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [69] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WK4 or .WK42 or .WK43 or :3WK4;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-fluorophenyl)-4-methyl-1-piperazinecarboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434944 | PDB:5RXP | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [70] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AWD or .AWD2 or .AWD3 or :3AWD;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-2-(4-chlorophenoxy)propanamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z19727416 | PDB:5RY2 | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [71] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W0M or .W0M2 or .W0M3 or :3W0M;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:494 or .A:497 or .A:498 or .A:501 or .A:502 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (S)-n-methyl-1-(4-fluorophenyl)ethylamine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z166605480 | PDB:5RY5 | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [72] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VWA or .VWA2 or .VWA3 or :3VWA;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504 or .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z927400026 | PDB:5RYB | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [73] |
| PDB Sequence |
EQPEPDMITI
405 FIGTWNMGNA415 PPPKKITSWF425 LSKGQGKTRD435 DSADYIPHDI445 YVIGTQEDPL 455 SEKEWLEILK465 HSLQEITSVT475 FKTVAIHTLW485 NIRIVVLAKP495 EHENRISHIC 505 TDNVKTGIAN515 TLGNKGAVGV525 SFMFNGTSLG535 FVNSHLTSGS545 EKKLRRNQNY 555 MNILRFLALG565 DKKLSPFNIT575 HRFTHLFWFG585 DLNYRVDLPT595 WEAETIIQKI 605 KQQQYADLLS615 HDQLLTERRE625 QKVFLHFEEE635 EITFAPTYRF645 ERLTRDKYAY 655 TKQKATGMKY665 NLPSWCDRVL675 WKSYPLVHVV685 CQSYGSTSDI695 MTSDHSPVFA 705 TFEAGVTSQF715 VSKNGPGTVD725 SQGQIEFLRC735 YATLKTKSQT745 KFYLEFHSSC 755 LESFVKSQEG765 ENEEGSEGEL775 VVKFGETLPK785 LKPIISDPEY795 LLDQHILISI 805 KSSDSDESYG815 EGCIALRLEA825 TETQLPIYTP835 LTHHGELTGH845 FQGEIKLQTS 855 Q
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKM or .WKM2 or .WKM3 or :3WKM;style chemicals stick;color identity;select .A:482 or .A:483 or .A:484 or .A:485 or .A:508 or .A:510; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3S,4R)-3-methyl-1-(methylsulfonyl)piperidin-4-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1346370629 | PDB:5RYK | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [74] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WOJ or .WOJ2 or .WOJ3 or :3WOJ;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(Trifluoromethyl)pyrimidine-5-carboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1745658474 | PDB:5RYL | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [75] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S7J or .S7J2 or .S7J3 or :3S7J;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:502 or .A:503 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-2-(4-cyanophenoxy)propanamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z19739650 | PDB:5RXZ | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [76] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKD or .WKD2 or .WKD3 or :3WKD;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:494 or .A:497 or .A:498 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Methyl 4-sulfanylbenzoate | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z18197050 | PDB:5RYC | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [77] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WL1 or .WL12 or .WL13 or :3WL1;style chemicals stick;color identity;select .A:504 or .A:505 or .A:563 or .A:564 or .A:565 or .A:567 or .A:577; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1152242726 | PDB:5RWH | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [78] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VZM or .VZM2 or .VZM3 or :3VZM;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Methyl-2-{[(3-methylthiophen-2-YL)methyl]amino}propan-1-OL | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434821 | PDB:5RXB | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [79] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RX7 or .RX72 or .RX73 or :3RX7;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434868 | PDB:5RXC | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [80] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NVY or .NVY2 or .NVY3 or :3NVY;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:497 or .A:498 or .A:499 or .A:501 or .A:502 or .A:504 or .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(Oxan-4-ylmethyl)piperazine | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1267773591 | PDB:5RY7 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [81] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WLA or .WLA2 or .WLA3 or :3WLA;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(5-bromo-2-methoxyphenyl)methyl]acetamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z955369596 | PDB:5RYD | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [82] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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|||||
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKV or .WKV2 or .WKV3 or :3WKV;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:493 or .A:498 or .A:501 or .A:502 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z319545618 | PDB:5RXT | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [83] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RXS or .RXS2 or .RXS3 or :3RXS;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:494 or .A:497 or .A:498 or .A:499 or .A:501 or .A:502 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (R)-1-(4-Chloro-benzyl)-pyrrolidin-3-ol | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2856434858 | PDB:5RXU | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [84] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WKJ or .WKJ2 or .WKJ3 or :3WKJ;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-cyanophenyl)-2-methylpropanamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z26548083 | PDB:5RXQ | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [85] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WL4 or .WL42 or .WL43 or :3WL4;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:493 or .A:494 or .A:497 or .A:498 or .A:501 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N~1~-phenylpiperidine-1,4-dicarboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z33545544 | PDB:5RYE | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [86] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T0J or .T0J2 or .T0J3 or :3T0J;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:481 or .A:497 or .A:498 or .A:501 or .A:504; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z68299550 | PDB:5RXO | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | No | [87] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JOV or .JOV2 or .JOV3 or :3JOV;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:480 or .A:481 or .A:498 or .A:501 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3S)-3-(methylamino)-1-phenylpiperidin-2-one | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z1212984951 | PDB:5RYH | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [88] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WOA or .WOA2 or .WOA3 or :3WOA;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3S)-N-methyl-N-phenylpyrrolidine-3-carboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z2447286438 | PDB:5RXI | ||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | No | [89] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O3A or .O3A2 or .O3A3 or :3O3A;style chemicals stick;color identity;select .A:620 or .A:623 or .A:624 or .A:631 or .A:632 or .A:633; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(4-Fluorophenyl)piperazine-1-carboxamide | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z198194394 | PDB:5RY6 | ||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | No | [90] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O1M or .O1M2 or .O1M3 or :3O1M;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:502 or .A:503 or .A:504 or .A:620 or .A:621 or .A:623 or .A:624 or .A:632 or .A:633; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[4-(4-Chlorophenyl)piperazin-1-yl]ethan-1-one | Ligand Info | |||||
| Structure Description | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z275165822 | PDB:5RY0 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [91] |
| PDB Sequence |
QPEPDMITIF
406 IGTWNMGNAP416 PPKKITSWFL426 SKGQGKTRDD436 SADYIPHDIY446 VIGTQEDPLS 456 EKEWLEILKH466 SLQEITSVTF476 KTVAIHTLWN486 IRIVVLAKPE496 HENRISHICT 506 DNVKTGIANT516 LGNKGAVGVS526 FMFNGTSLGF536 VNSHLTSGSE546 KKLRRNQNYM 556 NILRFLALGD566 KKLSPFNITH576 RFTHLFWFGD586 LNYRVDLPTW596 EAETIIQKIK 606 QQQYADLLSH616 DQLLTERREQ626 KVFLHFEEEE636 ITFAPTYRFE646 RLTRDKYAYT 656 KQKATGMKYN666 LPSWCDRVLW676 KSYPLVHVVC686 QSYGSTSDIM696 TSDHSPVFAT 706 FEAGVTSQFV716 SKNGPGTVDS726 QGQIEFLRCY736 ATLKTKSQTK746 FYLEFHSSCL 756 ESFVKSQEGE766 NEEGSEGELV776 VKFGETLPKL786 KPIISDPEYL796 LDQHILISIK 806 SSDSDESYGE816 GCIALRLEAT826 ETQLPIYTPL836 THHGELTGHF846 QGEIKLQTSQ 856
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WNY or .WNY2 or .WNY3 or :3WNY;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:493 or .A:497 or .A:498 or .A:501 or .A:504; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| REF 1 | INPP5D PanDDA analysis group deposition | ||||
| REF 2 | INPP5D PanDDA analysis group deposition | ||||
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