Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T59328 | Target Info | |||
| Target Name | Epidermal growth factor receptor (EGFR) | ||||
| Synonyms | Receptor tyrosine-protein kinase erbB-1; Proto-oncogene c-ErbB-1; HER1; ERBB1; ERBB | ||||
| Target Type | Successful Target | ||||
| Gene Name | EGFR | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 1,2,3,4-Tetrahydrogen Staurosporine | Ligand Info | |||
| Canonical SMILES | CC12C(C(CC(O1)N3C4=C(CCCC4)C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C=NC6=O)NC)OC | ||||
| InChI | 1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20?,26-,28+/m1/s1 | ||||
| InChIKey | QHZYTTSLHQFFIQ-ZGQXJOJZSA-N | ||||
| PubChem Compound ID | 16040259 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2ITQ Crystal structure of EGFR kinase domain G719S mutation in complex with AFN941 | ||||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | Yes | [1] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLSSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLITQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGAEE866 KEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDMD1008 DVVDADEYLI1018 |
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LEU718
3.864
SER719
3.834
PHE723
4.079
VAL726
3.986
ALA743
3.297
LYS745
3.467
GLU762
3.749
MET766
4.014
CYS775
4.476
LEU788
4.477
THR790
2.953
|
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| PDB ID: 2ITU Crystal structure of EGFR kinase domain L858R mutation in complex with AFN941 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLITQLMPF795 GCLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGRAKLLGAE865 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY 915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA955 DSRPKFRELI 965 IEFSKMARDP975 QRYLVIQGDE985 RMHLPSMDEE1005 DMDDVVDADE1015 YLIP |
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| PDB ID: 2ITW Crystal structure of EGFR kinase domain in complex with AFN941 | ||||||
| Method | X-ray diffraction | Resolution | 2.88 Å | Mutation | No | [1] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLITQLMPF795 GCLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGLAKLLGAE865 EKEYHAEGGK875 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW 905 ELMTFGSKPY915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA 955 DSRPKFRELI965 IEFSKMARDP975 QRYLVIQGDM1007 DDVVDADEYL1017 I |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of lung cancer-derived EGFR mutants and inhibitor complexes: mechanism of activation and insights into differential inhibitor sensitivity. Cancer Cell. 2007 Mar;11(3):217-27. | ||||
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