Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T62431 | Target Info | |||
| Target Name | Tyrosine-protein kinase SYK (SYK) | ||||
| Synonyms | p72-Syk; Spleen tyrosine kinase | ||||
| Target Type | Successful Target | ||||
| Gene Name | SYK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Imatinib | Ligand Info | |||||
| Structure Description | Crystal structure of the syk tyrosine kinase domain with Gleevec | PDB:1XBB | ||||
| Method | X-ray diffraction | Resolution | 1.57 Å | Mutation | No | [1] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AKWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNYYY 631 DVVNEGHH
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| Ligand Name: GS-9973 | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase (Syk) in complex with GS-9973 | PDB:4PUZ | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [2] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDV
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LYS375
4.748
LEU377
3.577
GLY378
3.829
SER379
3.375
GLY380
4.450
PHE382
3.704
VAL385
3.804
ALA400
3.631
LYS402
4.234
VAL433
4.049
MET448
3.726
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| Ligand Name: TAK-659 | Ligand Info | |||||
| Structure Description | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | PDB:5TR6 | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [3] |
| PDB Sequence |
EVYLDRKLLT
371 LEDKELGSGN381 FGTVKKGYYQ391 MKKVVKTVAV401 KILPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQTHGKWPVK537 WYAPECINYY547 KFSSKSDVWS557 FGVLMWEAFS567 YGQKPYRGMK 577 GSEVTAMLEK587 GERMGCPAGC597 PREMYDLMNL607 CWTYDVENRP617 GFAAVELRLR 627 NYYYDVVNHH637 HH
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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 .7KG or .7KG2 or .7KG3 or :37KG;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU377
3.832
GLY378
4.306
SER379
3.930
PHE382
4.366
VAL385
3.872
ALA400
3.273
VAL433
4.109
MET448
3.860
GLU449
2.772
MET450
3.601
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| Ligand Name: GS-9876 | Ligand Info | |||||
| Structure Description | Crystal structure of Syk in complex with GS-9876 | PDB:6VOV | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [4] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNY |
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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 .R6D or .R6D2 or .R6D3 or :3R6D;style chemicals stick;color identity;select .A:375 or .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Tamatinib | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with R406 | PDB:3FQS | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [5] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AKWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNYYY 631 DVVNEGHH
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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 .585 or .5852 or .5853 or :3585;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PRT-062607 | Ligand Info | |||||
| Structure Description | SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor | PDB:4RX9 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [6] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGFGTV385 KKGYYQMKKV395 VKTVAVKILK405 PALKDELLAE420 ANVMQQLDNP 430 YIVRMIGICE440 AESWMLVMEM450 AELGPLNKYL460 QQNRHVTDKN470 IIELVHQVSM 480 GMKYLEESNF490 VHRDLAARNV500 LLVTQHYAKI510 SDFGLSKALR520 ADENYYKAQT 530 GKWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNYYY 631 DVVNHHHH
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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 .3YT or .3YT2 or .3YT3 or :33YT;style chemicals stick;color identity;select .A:377 or .A:378 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: GSK2646264 | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE (SYK) IN COMPLEX WITH A 2-(PHENOXYMETHYL)PYRIDINE INHIBITOR | PDB:6HM7 | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [7] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD 522 ENYKAQTWPV536 KWYAPECINY546 YKFSSKSDVW556 SFGVLMWEAF566 SYGQKPYRGM 576 KGSEVTAMLE586 KGERMGCPAG596 CPREMYDLMN606 LCWTYDVENR616 PGFAAVELRL 626 RNYYYDV
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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 .GDH or .GDH2 or .GDH3 or :3GDH;style chemicals stick;color identity;select .A:377 or .A:378 or .A:382 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU377
3.633
GLY378
3.963
PHE382
4.258
VAL385
3.639
ALA400
3.427
VAL433
4.057
MET448
3.573
GLU449
3.139
MET450
3.759
ALA451
3.094
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Structural and Biophysical Characterization of the Syk Activation Switch | PDB:4FL1 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [8] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQTHGKWPVK537 WYAPECINYY547 KFSSKSDVWS557 FGVLMWEAFS567 YGQKPYRGMK 577 GSEVTAMLEK587 GERMGCPAGC597 PREMYDLMNL607 CWTYDVENRP617 GFAAVELRLR 627 NYYYDVVN
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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 .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:381 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:455 or .A:498 or .A:499 or .A:501 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Staurosporine | Ligand Info | |||||
| Structure Description | Crystal structure of the syk tyrosine kinase domain with Staurosporin | PDB:1XBC | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENYYKA 528 QTHGKWPVKW538 YAPECINYYK548 FSSKSDVWSF558 GVLMWEAFSY568 GQKPYRGMKG 578 SEVTAMLEKG588 ERMGCPAGCP598 REMYDLMNLC608 WTYDVENRPG618 FAAVELRLRN 628 YYYDVVNE
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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 .STU or .STU2 or .STU3 or :3STU;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU377
3.450
GLY378
3.364
SER379
4.203
PHE382
4.033
VAL385
3.641
ALA400
3.372
LYS402
3.726
GLU420
4.153
VAL433
3.968
MET448
3.569
GLU449
2.931
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| Ligand Name: PRT-060318 | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with YM193306 | PDB:3FQE | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [5] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDVVNEGHH
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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 .P5C or .P5C2 or .P5C3 or :3P5C;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU377
3.534
GLY378
4.118
SER379
3.329
GLY380
4.505
PHE382
4.167
VAL385
3.870
ALA400
3.363
LYS402
3.901
VAL433
3.722
MET448
3.640
GLU449
3.034
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| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | SYK kinase domain in complex with inhibitor GTC000225 | PDB:4YJR | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [9] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGTVKKG388 YYQMKKVVKT398 VAVKILKNEA408 NDPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENKAQT 530 HGKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDV
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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 .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:491 or .A:493 or .A:517 or .A:519 or .A:520 or .A:523 or .A:524 or .A:527 or .A:528 or .A:529 or .A:547 or .A:548 or .A:549 or .A:550; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (3~{R},4~{R})-~{N}4-[1-[2-(1-methylindol-4-yl)-3~{H}-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]oxane-3,4-diamine | Ligand Info | |||||
| Structure Description | SYK Kinase domain in complex with azabenzimidazole inhibitor 3 | PDB:6ZCS | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [10] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQTHKWPVKW538 YAPECINYYK548 FSSKSDVWSF558 GVLMWEAFSY568 GQKPYRGMKG 578 SEVTAMLEKG588 ERMGCPAGCP598 REMYDLMNLC608 WTYDVENRPG618 FAAVELRLRN 628 YYYDVVNHH
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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 .QFE or .QFE2 or .QFE3 or :3QFE;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU377
3.250
GLY378
4.463
SER379
3.483
PHE382
4.286
VAL385
3.906
ALA400
3.516
LYS402
3.559
VAL433
4.046
MET448
3.519
GLU449
3.388
MET450
3.401
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| Ligand Name: N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide | Ligand Info | |||||
| Structure Description | SYK Kinase domain in complex with azabenzimidazole inhibitor 18 | PDB:6ZCX | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [11] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSFGT384 VKKGYYQMKK394 VVKTVAVKIL404 KLKDELLAEA421 NVMQQLDNPY 431 IVRMIGICEA441 ESWMLVMEMA451 ELGPLNKYLQ461 QNRHVKDKNI471 IELVHQVSMG 481 MKYLEESNFV491 HRDLAARNVL501 LVTQHYAKIS511 DFGLSKALRA521 DENYYKAQTH 531 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VVNHHH
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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 .QFQ or .QFQ2 or .QFQ3 or :3QFQ;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.358
GLY378
3.666
SER379
4.438
VAL385
3.888
ALA400
3.390
LYS402
4.359
GLU420
4.030
VAL433
4.135
MET448
3.327
GLU449
3.276
MET450
3.421
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| Ligand Name: 6-Chloro-2-(2-Fluoro-4,5-Dimethoxyphenyl)-N-(Piperidin-4-Ylmethyl)-3h-Imidazo[4,5-B]pyridin-7-Amine | Ligand Info | |||||
| Structure Description | SYK Kinase domain in complex with azabenzimidazole inhibitor 7 | PDB:6ZCR | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [12] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNYYY 631 DVVNH
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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 .5JG or .5JG2 or .5JG3 or :35JG;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide | Ligand Info | |||||
| Structure Description | SYK Kinase domain in complex with diamine inhibitor 16 | PDB:6ZCY | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [13] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSFGT384 VKKGYYQMKK394 VVKTVAVKIL404 KLKDELLAEA421 NVMQQLDNPY 431 IVRMIGICEA441 ESWMLVMEMA451 ELGPLNKYLQ461 QNRHVKDKNI471 IELVHQVSMG 481 MKYLEESNFV491 HRDLAARNVL501 LVTQHYAKIS511 DFGLSKALRA521 DENYYKAQTH 531 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VVNHH
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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 .QF8 or .QF82 or .QF83 or :3QF8;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU377
3.308
GLY378
3.710
SER379
4.884
VAL385
3.860
ALA400
3.445
LYS402
4.441
GLU420
4.022
VAL433
4.068
MET448
3.367
GLU449
3.297
MET450
3.412
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|||||
| Ligand Name: 3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of SYK in complex with compound 1 | PDB:5C26 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [14] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD 522 ENKAQTHGKW534 PVKWYAPECI544 NYYKFSSKSD554 VWSFGVLMWE564 AFSYGQKPYR 574 GMKGSEVTAM584 LEKGERMGCP594 AGCPREMYDL604 MNLCWTYDVE614 NRPGFAAVEL 624 RLRNYYYDVV634 NH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .50H or .50H2 or .50H3 or :350H;style chemicals stick;color identity;select .A:377 or .A:378 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:501 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine | Ligand Info | |||||
| Structure Description | SYK Kinase domain in complex with azabenzimidazole inhibitor 2b | PDB:6ZC0 | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [15] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSFGT384 VKKGYYQMKK394 VVKTVAVKIL404 KLKDELLAEA421 NVMQQLDNPY 431 IVRMIGICEA441 ESWMLVMEMA451 ELGPLNKYLQ461 QNRHVKDKNI471 IELVHQVSMG 481 MKYLEESNFV491 HRDLAARNVL501 LVTQHYAKIS511 DFGLSKALRA521 DENYYKAQTH 531 GKWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNYYY 631 DVVNHHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QDZ or .QDZ2 or .QDZ3 or :3QDZ;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[5-(5-Ethoxy-6-Fluoro-1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]-1,1-Diethylurea | Ligand Info | |||||
| Structure Description | Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416 | PDB:3VF8 | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [16] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 VVKTVAVKIL404 PALKDELLAE420 ANVMQQLDNP 430 YIVRMIGICE440 AESWMLVMEM450 AELGPLNKYL460 QQNRHVKDKN470 IIELVHQVSM 480 GMKYLEESNF490 VHRDLAARNV500 LLVTQHYAKI510 SDFGLSKALR520 ADENYYKAQT 530 HGKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDVVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0JE or .0JE2 or .0JE3 or :30JE;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine | Ligand Info | |||||
| Structure Description | syk in complex with compound 30 | PDB:6SSB | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [17] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKLKDELLA419 EANVMQQLDN 429 PYIVRMIGIC439 EAESWMLVME449 MAELGPLNKY459 LQQNRHVKDK469 NIIELVHQVS 479 MGMKYLEESN489 FVHRDLAARN499 VLLVTQHYAK509 ISDFGLSKAL519 RADENYYKAQ 529 THKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDVVNHHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LUE or .LUE2 or .LUE3 or :3LUE;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.673
GLY378
3.748
SER379
3.884
PHE382
3.666
VAL385
3.643
ALA400
3.297
LYS402
4.096
GLU420
4.398
VAL433
4.213
MET448
3.515
GLU449
3.129
|
|||||
| Ligand Name: 1-Benzyl-N-{5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]pyridin-2-Yl}-2-Oxo-1,2-Dihydropyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of SYK kinase domain with 1-benzyl-N-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide | PDB:3TUC | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [18] |
| PDB Sequence |
IRPKEVYLDR
367 KLLTLEDKEL377 GSGNFGTVKK387 GYYQMKKVVK397 TVAVKILKNE407 ANDPALKDEL 417 LAEANVMQQL427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK 467 DKNIIELVHQ477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLPV 536 KWYAPECINY546 YKFSSKSDVW556 SFGVLMWEAF566 SYGQKPYRGM576 KGSEVTAMLE 586 KGERMGCPAG596 CPREMYDLMN606 LCWTYDVENR616 PGFAAVELRL626 RNYYYDV |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FPW or .FPW2 or .FPW3 or :3FPW;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:402 or .A:417 or .A:420 or .A:421 or .A:424 or .A:433 or .A:435 or .A:438 or .A:446 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:501 or .A:511 or .A:512 or .A:513 or .A:515; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.517
GLY378
4.099
VAL385
3.631
ALA400
3.478
LYS402
3.055
LEU417
3.593
GLU420
3.457
ALA421
3.563
MET424
3.759
VAL433
4.078
MET435
3.577
ILE438
3.669
LEU446
3.593
|
|||||
| Ligand Name: 3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}-N-[4-(Methylcarbamoyl)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of SYK in complex with compound 2 | PDB:5C27 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [14] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD 522 ENKAQTHGKW534 PVKWYAPECI544 NYYKFSSKSD554 VWSFGVLMWE564 AFSYGQKPYR 574 GMKGSEVTAM584 LEKGERMGCP594 AGCPREMYDL604 MNLCWTYDVE614 NRPGFAAVEL 624 RLRNYYYDVV634 NH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .50J or .50J2 or .50J3 or :350J;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:457 or .A:458 or .A:461 or .A:498 or .A:501; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.608
GLY378
4.001
SER379
4.431
PHE382
3.457
VAL385
3.723
ALA400
3.338
LYS402
4.516
VAL433
3.870
MET448
3.775
GLU449
3.163
MET450
3.557
|
|||||
| Ligand Name: 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide | Ligand Info | |||||
| Structure Description | SYK Kinase domain in complex with azabenzimidazole inhibitor 2b | PDB:6ZCP | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [19] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KVVKTVAVKI403 LLKDELLAEA421 NVMQQLDNPY 431 IVRMIGICEA441 ESWMLVMEMA451 ELGPLNKYLQ461 QNRHVKDKNI471 IELVHQVSMG 481 MKYLEESNFV491 HRDLAARNVL501 LVTQHYAKIS511 DFGLSKALRA521 DENYYKAQTH 531 GKWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNYYY 631 DVVNHHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QFK or .QFK2 or .QFK3 or :3QFK;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.398
GLY378
3.626
SER379
3.692
PHE382
3.596
VAL385
3.568
ALA400
3.298
LYS402
3.804
VAL433
4.062
MET448
3.682
GLU449
3.292
MET450
3.502
|
|||||
| Ligand Name: 3-{2-[5-(Difluoromethyl)-2h-Thieno[3,2-C]pyrazol-3-Yl]-1h-Indol-6-Yl}pentan-3-Ol | Ligand Info | |||||
| Structure Description | Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027 | PDB:3VF9 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK393 VVKTVAVKIL404 PALKDELLAE420 ANVMQQLDNP 430 YIVRMIGICE440 AESWMLVMEM450 AELGPLNKYL460 QQNRHVKDKN470 IIELVHQVSM 480 GMKYLEESNF490 VHRDLAARNV500 LLVTQHYAKI510 SDFGLSKALR520 ADENYYKAQT 530 HGKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDVVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .477 or .4772 or .4773 or :3477;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-[[4-[4-[[(3~{R},4~{R})-3-azanyloxan-4-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide | Ligand Info | |||||
| Structure Description | SYK Kinase domain in complex with diamine inhibitor 5 | PDB:6ZCQ | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [20] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKLKDELLA419 EANVMQQLDN 429 PYIVRMIGIC439 EAESWMLVME449 MAELGPLNKY459 LQQNRHVKDK469 NIIELVHQVS 479 MGMKYLEESN489 FVHRDLAARN499 VLLVTQHYAK509 ISDFGLSKAL519 RADENYYKAQ 529 THKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDVVNHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QFB or .QFB2 or .QFB3 or :3QFB;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.441
GLY378
3.670
SER379
3.295
GLY380
3.946
PHE382
3.708
VAL385
3.602
ALA400
3.492
LYS402
3.798
VAL433
4.113
MET448
3.511
GLU449
3.266
|
|||||
| Ligand Name: N-{4-Methyl-3-[8-Methyl-7-Oxo-2-(Phenylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]phenyl}-3-(Trifluoromethyl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of SYK kinase domain with N-(4-methyl-3-(8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)phenyl)-3-(trifluoromethyl)benzamide | PDB:3TUD | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [18] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGKWPVKWYA 540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE580 VTAMLEKGER 590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY630 YDVVNH |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FPX or .FPX2 or .FPX3 or :3FPX;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:401 or .A:402 or .A:420 or .A:424 or .A:427 or .A:432 or .A:433 or .A:446 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:485 or .A:490 or .A:492 or .A:501 or .A:510 or .A:511 or .A:512 or .A:513; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.840
GLY378
4.725
VAL385
3.375
ALA400
3.622
VAL401
3.999
LYS402
3.631
GLU420
3.311
MET424
3.492
LEU427
3.271
ILE432
3.728
VAL433
3.575
LEU446
4.162
MET448
3.394
GLU449
3.316
|
|||||
| Ligand Name: N~3~-(Tetrahydro-2h-Pyran-4-Yl)-N~6~-[5-(Tetrahydro-2h-Pyran-4-Ylmethyl)[1,2,4]triazolo[1,5-A]pyridin-2-Yl]-1h-Indazole-3,6-Diamine | Ligand Info | |||||
| Structure Description | SYK catalytic domain in complex with a potent triazolopyridine inhibitor | PDB:4WNM | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [21] |
| PDB Sequence |
VYEVYLDRKL
369 LTLEDKELGS379 GNFGTVKKGY389 YQMKKVVKTV399 AVKILKNPAL413 KDELLAEANV 423 MQQLDNPYIV433 RMIGICEAES443 WMLVMEMAEL453 GPLNKYLQQN463 RHVKDKNIIE 473 LVHQVSMGMK483 YLEESNFVHR493 DLAARNVLLV503 TQHYAKISDF513 GLSKALRADE 523 NYYKAQTHGK533 WPVKWYAPEC543 INYYKFSSKS553 DVWSFGVLMW563 EAFSYGQKPY 573 RGMKGSEVTA583 MLEKGERMGC593 PAGCPREMYD603 LMNLCWTYDV613 ENRPGFAAVE 623 LRLRNYYYDV633 VNH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3RT or .3RT2 or .3RT3 or :33RT;style chemicals stick;color identity;select .A:376 or .A:377 or .A:378 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:462 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU376
4.722
LEU377
3.162
GLY378
3.925
VAL385
3.751
ALA400
3.577
VAL433
4.226
MET448
3.752
GLU449
3.681
MET450
3.617
ALA451
2.646
GLU452
3.797
|
|||||
| Ligand Name: 2-((1R,2S)-2-aminocyclohexylamino)-4-(4-(methylsulfonyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one | Ligand Info | |||||
| Structure Description | Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor | PDB:5Y5T | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [22] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGTVKK387 GYYQMKKVVK397 TVAVKILKNA412 LKDELLAEAN422 VMQQLDNPYI 432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII472 ELVHQVSMGM 482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD522 ENYYKAQTHG 532 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8OR or .8OR2 or .8OR3 or :38OR;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-hydroxypiperidin-1-yl)-4-((1-methyl-1H-indazol-5-yl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one | Ligand Info | |||||
| Structure Description | Crystal structures of spleen tyrosine kinase in complex with a novel inhibitor | PDB:5Y5U | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [22] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LKPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENYYKA 528 QTHGKWPVKW538 YAPECINYYK548 FSSKSDVWSF558 GVLMWEAFSY568 GQKPYRGMKG 578 SEVTAMLEKG588 ERMGCPAGCP598 REMYDLMNLC608 WTYDVENRPG618 FAAVELRLRN 628 YYYDVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8OU or .8OU2 or .8OU3 or :38OU;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-{5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]pyridin-2-Yl}-3-[(1r,2s)-2-Phenylcyclopropyl]urea | Ligand Info | |||||
| Structure Description | Crystal structure of SYK kinase domain with 1-(5-(6,7-dimethoxyquinolin-4-yloxy)pyridin-2-yl)-3-((1R,2S)-2-phenylcyclopropyl)urea | PDB:3TUB | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [18] |
| PDB Sequence |
EVYLDRKLLT
371 LEDKELGSGN381 FGTVKKGYYQ391 MKKVVKTVAV401 KILKNEANDP411 ALKDELLAEA 421 NVMQQLDNPY431 IVRMIGICEA441 ESWMLVMEMA451 ELGPLNKYLQ461 QNRHVKDKNI 471 IELVHQVSMG481 MKYLEESNFV491 HRDLAARNVL501 LVTQHYAKIS511 DFGLPVKWYA 540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE580 VTAMLEKGER 590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY630 YDV |
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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 .FPU or .FPU2 or .FPU3 or :3FPU;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:402 or .A:420 or .A:423 or .A:424 or .A:427 or .A:432 or .A:433 or .A:446 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:454 or .A:455 or .A:485 or .A:490 or .A:492 or .A:501 or .A:510 or .A:511 or .A:512 or .A:513 or .A:515; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
2.925
GLY378
3.276
VAL385
2.845
ALA400
3.472
LYS402
2.776
GLU420
1.966
VAL423
3.419
MET424
2.931
LEU427
3.691
ILE432
3.028
VAL433
3.544
LEU446
4.680
MET448
3.033
GLU449
2.257
|
|||||
| Ligand Name: 4-{[(3s)-1-{7-[(3,4-Dimethoxyphenyl)amino][1,3]thiazolo[5,4-D]pyrimidin-5-Yl}pyrrolidin-3-Yl]carbamoyl}benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with N-{(S)-1-[7-(3,4-Dimethoxy-phenylamino)-thiazolo[5,4-d]pyrimidin-5-yl]-pyrrolidin-3-yl}-terephthalamic acid | PDB:4FYO | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [23] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENYYKA 528 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VVNEGHH
|
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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 .0VF or .0VF2 or .0VF3 or :30VF;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:457 or .A:458 or .A:498 or .A:501 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.332
GLY378
3.476
SER379
3.400
GLY380
3.493
VAL385
3.671
ALA400
3.533
VAL433
3.963
MET448
3.947
GLU449
2.944
MET450
3.816
|
|||||
| Ligand Name: 5-{[(2s)-2-Aminopropyl]amino}-3-(1h-Indol-2-Yl)pyrazine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of SYK kinase domain with inhibitor | PDB:5TIU | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [24] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGTVKK387 GYYQMKKVVK397 TVAVKILKAL413 KDELLAEANV423 MQQLDNPYIV 433 RMIGICEAES443 WMLVMEMAEL453 GPLNKYLQQN463 RHVKDKNIIE473 LVHQVSMGMK 483 YLEESNFVHR493 DLAARNVLLV503 TQHYAKISDF513 GLSKALRADE523 NYYKAQTHGK 533 WPVKWYAPEC543 INYYKFSSKS553 DVWSFGVLMW563 EAFSYGQKPY573 RGMKGSEVTA 583 MLEKGERMGC593 PAGCPREMYD603 LMNLCWTYDV613 ENRPGFAAVE623 LRLRNYYYDV 633 VNEGHH
|
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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 .7CU or .7CU2 or .7CU3 or :37CU;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 7-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-(1h-Indol-7-Ylamino)pyrido[4,3-D]pyrimidin-4(3h)-One | Ligand Info | |||||
| Structure Description | SYK catalytic domain in complex with a potent pyridopyrimidinone inhibitor | PDB:4PX6 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [25] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMV395 VKTVAVKILK405 PALKDELLAE420 ANVMQQLDNP 430 YIVRMIGICE440 AESWMLVMEM450 AELGPLNKYL460 QQNRHVTDKN470 IIELVHQVSM 480 GMKYLEESNF490 VHRDLAARNV500 LLVTQHYAKI510 SDFGLSKALR520 ADENYYKAKW 534 PVKWYAPECI544 NYYKFSSKSD554 VWSFGVLMWE564 AFSYGQKPYR574 GMKGSEVTAM 584 LEKGERMGCP594 AGCPREMYDL604 MNLCWTYDVE614 NRPGFAAVEL624 RLRNYYYDVV 634 NE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2X6 or .2X62 or .2X63 or :32X6;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.728
GLY378
4.622
SER379
3.424
GLY380
4.917
PHE382
4.198
VAL385
3.861
ALA400
3.337
LYS402
3.923
VAL433
3.401
MET448
3.484
GLU449
2.742
|
|||||
| Ligand Name: N-Tert-Butyl-2-(5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-1-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide | PDB:4I0T | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [26] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENYYKA 528 WPVKWYAPEC543 INYYKFSSKS553 DVWSFGVLMW563 EAFSYGQKPY573 RGMKGSEVTA 583 MLEKGERMGC593 PAGCPREMYD603 LMNLCWTYDV613 ENRPGFAAVE623 LRLRNYYYDV 633 VNEGHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1B6 or .1B62 or .1B63 or :31B6;style chemicals stick;color identity;select .A:377 or .A:378 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(6-Ethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with 6-((1R,2S)-2-Amino-cyclohexylamino)-4-(6-ethyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide | PDB:4FZ7 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [27] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSFGT384 VKKGYYQMKK394 VVKTVAVKIL404 PALKDELLAE420 ANVMQQLDNP 430 YIVRMIGICE440 AESWMLVMEM450 AELGPLNKYL460 QQNRHVKDKN470 IIELVHQVSM 480 GMKYLEESNF490 VHRDLAARNV500 LLVTQHYAKI510 SDFGLSKALR520 ADENYYKAKW 534 PVKWYAPECI544 NYYKFSSKSD554 VWSFGVLMWE564 AFSYGQKPYR574 GMKGSEVTAM 584 LEKGERMGCP594 AGCPREMYDL604 MNLCWTYDVE614 NRPGFAAVEL624 RLRNYYYDVV 634 NEGHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0VH or .0VH2 or .0VH3 or :30VH;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.720
GLY378
3.576
SER379
4.052
PHE382
3.981
VAL385
4.008
ALA400
3.238
LYS402
3.938
VAL433
3.771
MET448
3.613
GLU449
2.913
MET450
3.695
|
|||||
| Ligand Name: (5r)-5-[(1r)-1-{[6-(1-Methyl-1h-Pyrazol-4-Yl)-2,1-Benzothiazol-4-Yl]oxy}ethyl]-1,3-Oxazolidin-2-One | Ligand Info | |||||
| Structure Description | SYK catalytic domain complexed with a potent and orally bioavailable benzisothiazole inhibitor | PDB:5CY3 | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | Yes | [28] |
| PDB Sequence |
PKEVYLDRKL
369 LTLEDKELGS379 GNFGTVKKGY389 YQMKKVVKTV399 AVKILKNEDP411 ALKDELLAEA 421 NVMQQLDNPY431 IVRMIGICEA441 ESWMLVMEMA451 ELGPLNKYLQ461 QNRHVTDKNI 471 IELVHQVSMG481 MKYLEESNFV491 HRDLAARNVL501 LVTQHYAKIS511 DFGLSKALRA 521 DENYYKAQTH531 GKWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK 571 PYRGMKGSEV581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA 621 VELRLRNYYY631 DVVNEG
|
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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 .55Y or .55Y2 or .55Y3 or :355Y;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.444
GLY378
3.606
SER379
3.753
GLY380
3.629
VAL385
3.602
ALA400
3.452
LYS402
2.850
GLU420
4.686
VAL433
4.456
MET448
3.561
GLU449
3.360
|
|||||
| Ligand Name: N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine | PDB:4FZ6 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [23] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSFGT384 VKKGYYQMKK394 VVKTVAVKIL404 KPALKDELLA419 EANVMQQLDN 429 PYIVRMIGIC439 EAESWMLVME449 MAELGPLNKY459 LQQNRHVKDK469 NIIELVHQVS 479 MGMKYLEESN489 FVHRDLAARN499 VLLVTQHYAK509 ISDFGLSKAL519 RADENYYKAK 533 WPVKWYAPEC543 INYYKFSSKS553 DVWSFGVLMW563 EAFSYGQKPY573 RGMKGSEVTA 583 MLEKGERMGC593 PAGCPREMYD603 LMNLCWTYDV613 ENRPGFAAVE623 LRLRNYYYDV 633 VNEGHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0VG or .0VG2 or .0VG3 or :30VG;style chemicals stick;color identity;select .A:377 or .A:378 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide | PDB:4I0S | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [26] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENYYKA 528 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VVNEGHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1B5 or .1B52 or .1B53 or :31B5;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.237
GLY378
3.825
SER379
3.699
GLY380
3.631
VAL385
3.692
ALA400
3.296
LYS402
4.914
VAL433
3.950
MET448
3.582
GLU449
2.798
MET450
3.555
|
|||||
| Ligand Name: N-(Propan-2-Yl)-2-(3,4,5-Trimethoxyphenyl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide | PDB:4I0R | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [26] |
| PDB Sequence |
VYLDRKLLTL
372 EDELGSGTVK386 KGYYQMKKVV396 KTVAVKILKP411 ALKDELLAEA421 NVMQQLDNPY 431 IVRMIGICEA441 ESWMLVMEMA451 ELGPLNKYLQ461 QNRHVKDKNI471 IELVHQVSMG 481 MKYLEESNFV491 HRDLAARNVL501 LVTQHYAKIS511 DFGLSKALRA521 DENYYKAKWP 535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG575 MKGSEVTAML 585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR625 LRNYYYDVVN 635 EGHH
|
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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 .1B4 or .1B42 or .1B43 or :31B4;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with a 2-substituted 7-azaindole | PDB:3FQH | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [5] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGTVKK387 GYYQMKKVVK397 TVAVKILKPA412 LKDELLAEAN422 VMQQLDNPYI 432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII472 ELVHQVSMGM 482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD522 ENYYKAQTHG 532 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VV
|
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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 .057 or .0572 or .0573 or :3057;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:501; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[8-({4-[ethyl(2-Hydroxyethyl)amino]phenyl}amino)imidazo[1,2-A]pyrazin-5-Yl]phenol | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol | PDB:4FYN | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [23] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LKPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENYYKA 528 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VVNEGHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0VE or .0VE2 or .0VE3 or :30VE;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:402 or .A:420 or .A:424 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511 or .A:512 or .A:513; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-{[(1r,2s)-2-Aminocyclohexyl]amino}-4-[(5,6-Dimethylpyridin-2-Yl)amino]pyridazine-3-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with r9021 | PDB:4GFG | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [29] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD 522 ENYYKAQTHG532 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP 572 YRGMKGSEVT582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV 622 ELRLRNYYYD632 VVNEGHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0XF or .0XF2 or .0XF3 or :30XF;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.465
GLY378
4.057
SER379
3.276
GLY380
4.775
PHE382
4.160
VAL385
3.935
ALA400
3.449
LYS402
4.315
VAL433
3.840
MET448
3.481
GLU449
2.971
|
|||||
| Ligand Name: 2-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-4-methyl-1,3-thiazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK) | PDB:3EMG | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [30] |
| PDB Sequence |
LDRKLLTLED
374 KELGSGNFGT384 VKKGYYQMKV395 VKTVAVKILK405 LKDELLAEAN422 VMQQLDNPYI 432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII472 ELVHQVSMGM 482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD522 ENYYKAKWPV 536 KWYAPECINY546 YKFSSKSDVW556 SFGVLMWEAF566 SYGQKPYRGM576 KGSEVTAMLE 586 KGERMGCPAG596 CPREMYDLMN606 LCWTYDVENR616 PGFAAVELRL626 RNYYY |
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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 .685 or .6852 or .6853 or :3685;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.601
GLY378
4.255
SER379
3.695
PHE382
3.248
VAL385
3.518
ALA400
3.568
LYS402
2.502
GLU420
3.870
VAL433
3.975
MET448
3.250
|
|||||
| Ligand Name: N~4~-Cyclopropyl-N~2~-(3-Methyl-1h-Indazol-6-Yl)furo[3,2-D]pyrimidine-2,4-Diamine | Ligand Info | |||||
| Structure Description | Crystal structure of Syk catalytic domain in complex with a furo[3,2-d]pyrimidine | PDB:5T68 | ||||
| Method | X-ray diffraction | Resolution | 2.93 Å | Mutation | No | [31] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AKWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNYYY 631 DVVNEG
|
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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 .77V or .77V2 or .77V3 or :377V;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511; 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-[(3-Methyl-1-{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of an inhibitor-bound Syk | PDB:4XG7 | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [32] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGTVKKG388 YYQMKKVVKT398 VAVKILKNEA408 PALKDELLAE420 ANVMQQLDNP 430 YIVRMIGICE440 AESWMLVMEM450 AELGPLNKYL460 QQNRHVKDKN470 IIELVHQVSM 480 GMKYLEESNF490 VHRDLAARNV500 LLVTQHYAKI510 SDFGLSKALR520 ADENYYKAQT 530 HGKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDVVNL
|
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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 .X7G or .X7G2 or .X7G3 or :3X7G;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of tyrosine-protein kinase SYK with an inhibitor | PDB:4RSS | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [33] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LKNEAPALKD415 ELLAEANVMQ 425 QLDNPYIVRM435 IGICEAESWM445 LVMEMAELGP455 LNKYLQQNRH465 VKDKNIIELV 475 HQVSMGMKYL485 EESNFVHRDL495 AARNVLLVTQ505 HYAKISDFGL515 SKALRADENY 525 YKAQTHGKWP535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG 575 MKGSEVTAML585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR 625 LRNYYYDVV
|
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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 .4MG or .4MG2 or .4MG3 or :34MG;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.316
GLY378
4.491
VAL385
3.800
ALA400
3.518
LYS402
4.123
GLU420
3.840
VAL433
4.208
MET448
3.266
GLU449
3.283
MET450
3.385
|
|||||
| Ligand Name: (3r)-1-{[1-(5-Fluoro-2-{[4-(2-Hydroxyethoxy)-3,5-Dimethylphenyl]amino}pyrimidin-4-Yl)-4-Methyl-1h-Pyrrol-3-Yl]methyl}pyrrolidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of an inhibitor-bound Syk | PDB:4XG4 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [32] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AKWPVKWYAP541 ECINYYKFSS551 KSDVWSFGVL561 MWEAFSYGQK571 PYRGMKGSEV 581 TAMLEKGERM591 GCPAGCPREM601 YDLMNLCWTY611 DVENRPGFAA621 VELRLRNYYY 631 DVVN
|
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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 .X4G or .X4G2 or .X4G3 or :3X4G;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; 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-{[5-Fluoro-4-(3-{[(3r)-3-Hydroxypyrrolidin-1-Yl]methyl}-4-Methyl-1h-Pyrrol-1-Yl)pyrimidin-2-Yl]amino}-2,6-Dimethylphenyl Methanesulfonate | Ligand Info | |||||
| Structure Description | Crystal structure of an inhibitor-bound Syk | PDB:4XG3 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [32] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGTVKK387 GYYQMKKVVK397 TVAVKILKPA412 LKDELLAEAN422 VMQQLDNPYI 432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII472 ELVHQVSMGM 482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD522 ENYYKAQTHG 532 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VV
|
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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 .X3G or .X3G2 or .X3G3 or :3X3G;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.480
VAL385
3.546
ALA400
3.494
LYS402
4.880
GLU420
4.727
VAL433
3.510
MET448
3.653
GLU449
3.227
MET450
3.654
ALA451
2.866
|
|||||
| Ligand Name: 1-[(1-{2-[(3,5-Dimethylphenyl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of an inhibitor-bound Syk | PDB:4XG6 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [32] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD 522 ENYYKAQTHP535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG 575 MKGSEVTAML585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR 625 LRNYYYDVVN635 L
|
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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 .X6G or .X6G2 or .X6G3 or :3X6G;style chemicals stick;color identity;select .A:377 or .A:378 or .A:382 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.283
GLY378
3.863
PHE382
4.828
VAL385
3.825
ALA400
3.350
LYS402
4.311
GLU420
4.018
VAL433
4.190
MET448
3.297
GLU449
3.159
MET450
3.845
|
|||||
| Ligand Name: 1-[(1-{2-[(3-Chloro-1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of an inhibitor-bound Syk | PDB:4XG8 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [32] |
| PDB Sequence |
DRKLLTLEDK
375 ELGSGGTVKK387 GYYQMVVKTV399 AVKILDPALK414 DELLAEANVM424 QQLDNPYIVR 434 MIGICEAESW444 MLVMEMAELG454 PLNKYLQQNR464 HVKDKNIIEL474 VHQVSMGMKY 484 LEESNFVHRD494 LAARNVLLVT504 QHYAKISDFG514 LSKALRADEN524 YYKAQTHPVK 537 WYAPECINYY547 KFSSKSDVWS557 FGVLMWEAFS567 YGQKPYRGMK577 GSEVTAMLEK 587 GERMGCPAGC597 PREMYDLMNL607 CWTYDVENRP617 GFAAVELRLR627 NYYYDVVN |
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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 .X8G or .X8G2 or .X8G3 or :3X8G;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.616
GLY378
3.812
VAL385
3.879
ALA400
3.811
LYS402
4.440
GLU420
4.319
VAL433
4.152
MET448
3.405
GLU449
3.371
MET450
3.493
|
|||||
| Ligand Name: 1-({1-[2-({3,5-Dimethyl-4-[2-(Pyrrolidin-1-Yl)ethoxy]phenyl}amino)pyrimidin-4-Yl]-4-Methyl-1h-Pyrrol-3-Yl}methyl)azetidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of an inhibitor-bound Syk | PDB:5GHV | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [32] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNPALKDE416 LLAEANVMQQ 426 LDNPYIVRMI436 GICEAESWML446 VMEMAELGPL456 NKYLQQNRHV466 KDKNIIELVH 476 QVSMGMKYLE486 ESNFVHRDLA496 ARNVLLVTQH506 YAKISDFGLS516 KALRADENYY 526 KAKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDVVN
|
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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 .X5G or .X5G2 or .X5G3 or :3X5G;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.211
GLY378
4.732
VAL385
3.953
ALA400
3.389
LYS402
4.198
GLU420
4.370
VAL433
4.483
MET448
3.483
GLU449
3.417
MET450
3.402
|
|||||
| Ligand Name: 1-[(1-{2-[(3-Chloro-1,2-Dimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of an inhibitor-bound Syk | PDB:4XG9 | ||||
| Method | X-ray diffraction | Resolution | 2.91 Å | Mutation | No | [32] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 APVKWYAPEC543 INYYKFSSKS553 DVWSFGVLMW563 EAFSYGQKPY573 RGMKGSEVTA 583 MLEKGERMGC593 PAGCPREMYD603 LMNLCWTYDV613 ENRPGFAAVE623 LRLRNYYYD |
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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 .X9G or .X9G2 or .X9G3 or :3X9G;style chemicals stick;color identity;select .A:377 or .A:378 or .A:382 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.432
GLY378
3.983
PHE382
4.522
VAL385
3.782
ALA400
3.325
LYS402
4.175
GLU420
3.953
VAL433
4.294
MET448
3.226
GLU449
3.242
MET450
3.284
|
|||||
| Ligand Name: 3-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-(1h-Indol-7-Ylamino)-1,2,4-Triazine-6-Carboxamide | Ligand Info | |||||
| Structure Description | SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor2 | PDB:4RX8 | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [6] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LKPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVTD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENYYKA 528 QTGKWPVKWY539 APECINYYKF549 SSKSDVWSFG559 VLMWEAFSYG569 QKPYRGMKGS 579 EVTAMLEKGE589 RMGCPAGCPR599 EMYDLMNLCW609 TYDVENRPGF619 AAVELRLRNY 629 YYDVVNHHH
|
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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 .3YX or .3YX2 or .3YX3 or :33YX;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.460
GLY378
4.224
SER379
3.554
GLY380
4.624
PHE382
4.112
VAL385
3.842
ALA400
3.334
LYS402
3.861
VAL433
3.815
MET448
3.687
GLU449
2.847
|
|||||
| Ligand Name: N-{7-[4-(Dimethylamino)phenyl]-1,6-Naphthyridin-5-Yl}propane-1,3-Diamine | Ligand Info | |||||
| Structure Description | SYK catalytic domain complexed with naphthyridine inhibitor | PDB:5CXZ | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [28] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVT467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQTHKWPVKW538 YAPECINYYK548 FSSKSDVWSF558 GVLMWEAFSY568 GQKPYRGMKG 578 SEVTAMLEKG588 ERMGCPAGCP598 REMYDLMNLC608 WTYDVENRPG618 FAAVELRLRN 628 YYYDVVNHH
|
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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 .55U or .55U2 or .55U3 or :355U;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one | Ligand Info | |||||
| Structure Description | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | PDB:5TT7 | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [3] |
| PDB Sequence |
IRPKEVYLDR
367 KLLTLEDKEL377 GSGTVKKGYY390 QMKKVVKTVA400 VKILKPALKD415 ELLAEANVMQ 425 QLDNPYIVRM435 IGICEAESWM445 LVMEMAELGP455 LNKYLQQNRH465 VKDKNIIELV 475 HQVSMGMKYL485 EESNFVHRDL495 AARNVLLVTQ505 HYAKISDFGL515 SKALRADENY 525 YKAQTHGKWP535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG 575 MKGSEVTAML585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR 625 LRNYYYDVVN635 HHHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7KF or .7KF2 or .7KF3 or :37KF;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{[(1r,2s)-2-Aminocyclohexyl]amino}-5-{[3-(2h-1,2,3-Triazol-2-Yl)phenyl]amino}-1,2,4-Triazine-6-Carboxamide | Ligand Info | |||||
| Structure Description | SYK Catalytic Domain Complexed with a Potent Triazine Inhibitor | PDB:4RX7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [6] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEPALKD415 ELLAEANVMQ 425 QLDNPYIVRM435 IGICEAESWM445 LVMEMAELGP455 LNKYLQQNRH465 VTDKNIIELV 475 HQVSMGMKYL485 EESNFVHRDL495 AARNVLLVTQ505 HYAKISDFGL515 SKALRADENY 525 YKAQTHGKWP535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG 575 MKGSEVTAML585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR 625 LRNYYYDVVN635 HH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3YV or .3YV2 or .3YV3 or :33YV;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.222
GLY378
3.574
SER379
3.606
GLY380
4.868
PHE382
4.162
VAL385
3.798
ALA400
3.288
LYS402
3.925
VAL433
3.602
MET448
3.631
GLU449
2.900
MET450
3.830
|
|||||
| Ligand Name: (4r)-4-[(1r)-1-{[6-(3,4-Dimethoxyphenyl)[1,3]thiazolo[5,4-C]pyridin-4-Yl]oxy}ethyl]pyrrolidin-2-One | Ligand Info | |||||
| Structure Description | SYK catalytic domain complexed with a potent orally bioavailable thiazole inhibitor | PDB:5CXH | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [28] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVTDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD 522 ENYYKAQTHG532 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP 572 YRGMKGSEVT582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV 622 ELRLRNYYYD632 VVNHHHH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .55M or .55M2 or .55M3 or :355M;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:380 or .A:385 or .A:400 or .A:402 or .A:420 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.566
GLY378
3.496
SER379
3.781
GLY380
3.647
VAL385
3.748
ALA400
3.234
LYS402
2.984
GLU420
4.620
VAL433
4.386
MET448
3.957
GLU449
3.253
MET450
3.768
|
|||||
| Ligand Name: 3-(1h-Indazol-4-Yl{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}amino)propan-1-Ol | Ligand Info | |||||
| Structure Description | SYK kinase domain in complex with inhibitor GTC000225 | PDB:4YJR | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [9] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGTVKKG388 YYQMKKVVKT398 VAVKILKNEA408 NDPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENKAQT 530 HGKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DJ or .4DJ2 or .4DJ3 or :34DJ;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:401 or .A:402 or .A:417 or .A:420 or .A:424 or .A:433 or .A:446 or .A:447 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511 or .A:512 or .A:513; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
2.972
VAL385
2.121
ALA400
2.826
VAL401
3.445
LYS402
2.447
LEU417
3.848
GLU420
1.716
MET424
3.652
VAL433
2.652
LEU446
2.275
VAL447
4.493
MET448
2.400
|
|||||
| Ligand Name: 3-[1h-Indazol-4-Yl(2-{[3-(4-Methyl-1,3-Oxazol-5-Yl)phenyl]amino}pyrimidin-4-Yl)amino]propan-1-Ol | Ligand Info | |||||
| Structure Description | SYK kinase domain in complex with inhibitor GTC000224 | PDB:4YJQ | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | No | [9] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGGTVKK387 GYYQMKKVVK397 TVAVKILKNE407 ANDPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENKAQ 529 THGKWPVKWY539 APECINYYKF549 SSKSDVWSFG559 VLMWEAFSYG569 QKPYRGMKGS 579 EVTAMLEKGE589 RMGCPAGCPR599 EMYDLMNLCW609 TYDVENRPGF619 AAVELRLRNY 629 YYDV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DK or .4DK2 or .4DK3 or :34DK;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:401 or .A:402 or .A:417 or .A:420 or .A:424 or .A:433 or .A:446 or .A:447 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512 or .A:513; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
2.878
GLY378
2.701
VAL385
2.325
ALA400
2.823
VAL401
3.473
LYS402
2.430
LEU417
4.010
GLU420
1.703
MET424
3.787
VAL433
2.543
LEU446
2.342
VAL447
4.491
MET448
2.360
GLU449
2.432
|
|||||
| Ligand Name: N~2~-(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-N~4~-Ethyl-5-Fluoro-N~4~-(1h-Indazol-4-Yl)pyrimidine-2,4-Diamine | Ligand Info | |||||
| Structure Description | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000233 | PDB:4YJT | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [9] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LKNEANDPAL413 KDELLAEANV 423 MQQLDNPYIV433 RMIGICEAES443 WMLVMEMAEL453 GPLNKYLQQN463 RHVKDKNIIE 473 LVHQVSMGMK483 YLEESNFVHR493 DLAARNVLLV503 TQHYAKISDF513 GLSKALRADE 523 NKAQTHGKWP535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG 575 MKGSEVTAML585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR 625 LRNYYYDV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DQ or .4DQ2 or .4DQ3 or :34DQ;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:401 or .A:402 or .A:420 or .A:433 or .A:446 or .A:447 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511 or .A:512 or .A:513; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
2.947
GLY378
3.623
VAL385
3.121
ALA400
3.101
VAL401
3.515
LYS402
2.927
GLU420
1.804
VAL433
3.353
LEU446
2.547
VAL447
4.368
MET448
3.114
|
|||||
| Ligand Name: 5-Chloro-N~2~-(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-N~4~-Ethyl-N~4~-(1h-Indazol-4-Yl)pyrimidine-2,4-Diamine | Ligand Info | |||||
| Structure Description | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000222 | PDB:4YJO | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [9] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD 522 ENYYKAGKWP535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG 575 MKGSEVTAML585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR 625 LRNYYYD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DF or .4DF2 or .4DF3 or :34DF;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:401 or .A:402 or .A:420 or .A:433 or .A:446 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511 or .A:512 or .A:513; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
2.846
GLY378
3.611
VAL385
4.150
ALA400
3.561
VAL401
4.481
LYS402
3.544
GLU420
2.645
VAL433
3.411
LEU446
3.810
MET448
3.280
GLU449
3.233
|
|||||
| Ligand Name: 3-[6-[[4-[ethyl(1H-indazol-4-yl)amino]-5-fluoropyrimidin-2-yl]amino]-2,4-dihydroindazol-1-yl]propan-1-ol | Ligand Info | |||||
| Structure Description | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250 | PDB:4YJV | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [34] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGTVKKG388 YYQMKKVVKT398 VAVKILKNEA408 NDPALKDELL418 AEANVMQQLD 428 NPYIVRMIGI438 CEAESWMLVM448 EMAELGPLNK458 YLQQNRHVKD468 KNIIELVHQV 478 SMGMKYLEES488 NFVHRDLAAR498 NVLLVTQHYA508 KISDFGLSKA518 LRADENKAQT 530 HGKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DT or .4DT2 or .4DT3 or :34DT;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:401 or .A:402 or .A:417 or .A:420 or .A:433 or .A:446 or .A:447 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:501 or .A:511 or .A:512 or .A:513; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.247
VAL385
2.778
ALA400
2.974
VAL401
3.428
LYS402
3.019
LEU417
4.763
GLU420
1.804
VAL433
3.331
LEU446
2.509
VAL447
4.311
MET448
3.121
GLU449
2.433
|
|||||
| Ligand Name: N~2~-(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-5-Fluoro-N~4~-(1h-Indazol-4-Yl)-N~4~-Methylpyrimidine-2,4-Diamine | Ligand Info | |||||
| Structure Description | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000249 | PDB:4YJU | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [9] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LKNEANDPAL413 KDELLAEANV 423 MQQLDNPYIV433 RMIGICEAES443 WMLVMEMAEL453 GPLNKYLQQN463 RHVKDKNIIE 473 LVHQVSMGMK483 YLEESNFVHR493 DLAARNVLLV503 TQHYAKISDF513 GLSKALRADE 523 NKAGKWPVKW538 YAPECINYYK548 FSSKSDVWSF558 GVLMWEAFSY568 GQKPYRGMKG 578 SEVTAMLEKG588 ERMGCPAGCP598 REMYDLMNLC608 WTYDVENRPG618 FAAVELRLRN 628 YYYDV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DO or .4DO2 or .4DO3 or :34DO;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:401 or .A:402 or .A:420 or .A:433 or .A:446 or .A:447 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511 or .A:512 or .A:513; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
2.748
GLY378
3.496
VAL385
3.053
ALA400
2.956
VAL401
3.554
LYS402
3.024
GLU420
1.860
VAL433
3.334
LEU446
2.491
VAL447
4.237
MET448
3.108
|
|||||
| Ligand Name: 2-[{2-[(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)amino]pyrimidin-4-Yl}(1h-Indazol-4-Yl)amino]ethanol | Ligand Info | |||||
| Structure Description | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000223 | PDB:4YJP | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [9] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LKNDPALKDE416 LLAEANVMQQ 426 LDNPYIVRMI436 GICEAESWML446 VMEMAELGPL456 NKYLQQNRHV466 KDKNIIELVH 476 QVSMGMKYLE486 ESNFVHRDLA496 ARNVLLVTQH506 YAKISDFGLS516 KALRADENYY 526 KAGKWPVKWY539 APECINYYKF549 SSKSDVWSFG559 VLMWEAFSYG569 QKPYRGMKGS 579 EVTAMLEKGE589 RMGCPAGCPR599 EMYDLMNLCW609 TYDVENRPGF619 AAVELRLRNY 629 YYD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DL or .4DL2 or .4DL3 or :34DL;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:401 or .A:402 or .A:420 or .A:424 or .A:433 or .A:446 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511 or .A:512 or .A:513; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.115
GLY378
4.013
VAL385
3.615
ALA400
3.359
VAL401
4.498
LYS402
3.424
GLU420
2.622
MET424
4.105
VAL433
4.149
LEU446
3.747
MET448
3.122
|
|||||
| Ligand Name: 3-[{2-[(1,1-Dioxido-2,3-Dihydro-1,2-Benzothiazol-6-Yl)amino]pyrimidin-4-Yl}(1h-Indazol-4-Yl)amino]propan-1-Ol | Ligand Info | |||||
| Structure Description | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000226 | PDB:4YJS | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [9] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGTVKKG388 YYQMKKVVKT398 VAVKILALKD415 ELLAEANVMQ425 QLDNPYIVRM 435 IGICEAESWM445 LVMEMAELGP455 LNKYLQQNRH465 VKDKNIIELV475 HQVSMGMKYL 485 EESNFVHRDL495 AARNVLLVTQ505 HYAKISDFGL515 SKALRADENY525 YKAQTHGKWP 535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG575 MKGSEVTAML 585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR625 LRNYYYD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4DN or .4DN2 or .4DN3 or :34DN;style chemicals stick;color identity;select .A:377 or .A:385 or .A:400 or .A:401 or .A:402 or .A:420 or .A:424 or .A:433 or .A:446 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501 or .A:511 or .A:512 or .A:513; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.668
VAL385
3.722
ALA400
3.416
VAL401
4.486
LYS402
3.541
GLU420
2.605
MET424
4.416
VAL433
4.239
LEU446
3.688
MET448
3.213
GLU449
3.245
|
|||||
| Ligand Name: N'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine | Ligand Info | |||||
| Structure Description | HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR | PDB:5LMA | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [35] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKNEANDPA412 LKDELLAEAN 422 VMQQLDNPYI432 VRMIGICEAE442 SWMLVMEMAE452 LGPLNKYLQQ462 NRHVKDKNII 472 ELVHQVSMGM482 KYLEESNFVH492 RDLAARNVLL502 VTQHYAKISD512 FGLSKALRAD 522 ENYKAQGKWP535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG 575 MKGSEVTAML585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR 625 LRNYYYD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6ZG or .6ZG2 or .6ZG3 or :36ZG;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-{[(3r,4r)-3-Aminotetrahydro-2h-Pyran-4-Yl]amino}-4-[(4-Methylphenyl)amino]pyrimidine-5-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase (SYK) in complex with a diaminopyrimidine carboxamide inhibitor | PDB:3SRV | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [9] |
| PDB Sequence |
> Chain A
YLDRKLLTLE 373 DKELGNFGTV385 KKGYYQMKKV395 VKTVAVKILK405 ALKDELLAEA421 NVMQQLDNPY 431 IVRMIGICEA441 ESWMLVMEMA451 ELGPLNKYLQ461 QNRHVKDKNI471 IELVHQVSMG 481 MKYLEESNFV491 HRDLAARNVL501 LVTQHYAKIS511 DFGLSKALRA521 DENYKAQTHG 532 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632 VV> Chain B YLDRKLLTLE 373 DKELGSGNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LPALKDELLA419 EANVMQQLDN 429 PYIVRMIGIC439 EAESWMLVME449 MAELGPLNKY459 LQQNRHVKDK469 NIIELVHQVS 479 MGMKYLEESN489 FVHRDLAARN499 VLLVTQHYAK509 ISDFGLSKAL519 RADENYYKAQ 529 THGKWPVKWY539 APECINYYKF549 SSKSDVWSFG559 VLMWEAFSYG569 QKPYRGMKGS 579 EVTAMLEKGE589 RMGCPAGCPR599 EMYDLMNLCW609 TYDVENRPGF619 AAVELRLRNY 629 YYD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S19 or .S192 or .S193 or :3S19;style chemicals stick;color identity;select .A:377 or .A:378 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512 or .B:377 or .B:378 or .B:379 or .B:382 or .B:385 or .B:400 or .B:402 or .B:433 or .B:448 or .B:449 or .B:450 or .B:451 or .B:452 or .B:454 or .B:455 or .B:498 or .B:499 or .B:501 or .B:511 or .B:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377[A]
3.802
GLY378[A]
4.388
PHE382[A]
3.838
VAL385[A]
3.817
ALA400[A]
3.197
LYS402[A]
4.436
VAL433[A]
3.781
MET448[A]
3.561
GLU449[A]
3.041
MET450[A]
3.782
ALA451[A]
3.032
GLU452[A]
4.723
GLY454[A]
3.599
PRO455[A]
3.499
ARG498[A]
2.977
ASN499[A]
3.087
LEU501[A]
2.928
SER511[A]
3.663
ASP512[A]
2.698
LEU377[B]
3.570
GLY378[B]
4.224
SER379[B]
3.652
PHE382[B]
4.174
VAL385[B]
3.843
ALA400[B]
3.414
LYS402[B]
4.292
VAL433[B]
3.538
MET448[B]
3.488
GLU449[B]
2.896
MET450[B]
3.581
ALA451[B]
2.802
GLU452[B]
4.665
GLY454[B]
3.491
PRO455[B]
3.513
ARG498[B]
2.735
ASN499[B]
2.967
LEU501[B]
2.857
SER511[B]
3.110
ASP512[B]
2.897
|
|||||
| Ligand Name: 7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine | Ligand Info | |||||
| Structure Description | HUMAN SPLEEN TYROSINE KINASE KINASE DOMAIN IN COMPLEX WITH AZANAPHTHYRIDINE INHIBITOR | PDB:5LMB | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [35] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK393 KVVKTVAVKI403 LPALKDELLA419 EANVMQQLDN 429 PYIVRMIGIC439 EAESWMLVME449 MAELGPLNKY459 LQQNRHVKDK469 NIIELVHQVS 479 MGMKYLEESN489 FVHRDLAARN499 VLLVTQHYAK509 ISDFGLSKAL519 RADENYKAQT 530 HGKWPVKWYA540 PECINYYKFS550 SKSDVWSFGV560 LMWEAFSYGQ570 KPYRGMKGSE 580 VTAMLEKGER590 MGCPAGCPRE600 MYDLMNLCWT610 YDVENRPGFA620 AVELRLRNYY 630 YDVV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6ZF or .6ZF2 or .6ZF3 or :36ZF;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-Methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF SPLEEN TYROSINE KINASE (SYK) IN COMPLEX WITH A 2-(PYRIDINYLOXYMETHYL)PYRIDINE INHIBITOR | PDB:6HM6 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [7] |
| PDB Sequence |
YLDRKLLTLE
373 DKELGSGNFG383 TVKKGYYQMK394 VVKTVAVKIL404 DPALKDELLA419 EANVMQQLDN 429 PYIVRMIGIC439 EAESWMLVME449 MAELGPLNKY459 LQQNRHVKDK469 NIIELVHQVS 479 MGMKYLEESN489 FVHRDLAARN499 VLLVTQHYAK509 ISDFGLSKAL519 RADENYKAQG 532 KWPVKWYAPE542 CINYYKFSSK552 SDVWSFGVLM562 WEAFSYGQKP572 YRGMKGSEVT 582 AMLEKGERMG592 CPAGCPREMY602 DLMNLCWTYD612 VENRPGFAAV622 ELRLRNYYYD 632
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDK or .GDK2 or .GDK3 or :3GDK;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:501; 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-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzoyl)amino]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor | PDB:4PV0 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSFGT384 VKKGYYQMKK394 VVKTVAVKIL404 KPALKDELLA419 EANVMQQLDN 429 PYIVRMIGIC439 EAESWMLVME449 MAELGPLNKY459 LQQNRHVKDK469 NIIELVHQVS 479 MGMKYLEESN489 FVHRDLAARN499 VLLVTQHYAK509 ISDFGLSKAL519 RADENYYKAQ 529 THGKWPVKWY539 APECINYYKF549 SSKSDVWSFG559 VLMWEAFSYG569 QKPYRGMKGS 579 EVTAMLEKGE589 RMGCPAGCPR599 EMYDLMNLCW609 TYDVENRPGF619 AAVELRLRNY 629 YYDVVNEG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CG4 or .CG42 or .CG43 or :3CG4;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:457 or .A:458 or .A:498 or .A:501; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.552
GLY378
4.110
SER379
4.659
PHE382
4.416
VAL385
3.828
ALA400
3.422
LYS402
4.418
VAL433
4.110
MET448
3.903
GLU449
3.109
|
|||||
| Ligand Name: 3-Amino-6-{3-[(Methylsulfonyl)amino]phenyl}-N-(Piperidin-4-Ylmethyl)pyrazine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with a sulfonamidopyrazine piperidine inhibitor | PDB:4DFL | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [36] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGTV385 KKGYYQMVVK397 TVAVKILPAL413 KDELLAEANV423 MQQLDNPYIV 433 RMIGICEAES443 WMLVMEMAEL453 GPLNKYLQQN463 RHVKDKNIIE473 LVHQVSMGMK 483 YLEESNFVHR493 DLAARNVLLV503 TQHYAKISDF513 GLSKALRADE523 NYYKAQTHGK 533 WPVKWYAPEC543 INYYKFSSKS553 DVWSFGVLMW563 EAFSYGQKPY573 RGMKGSEVTA 583 MLEKGERMGC593 PAGCPREMYD603 LMNLCWTYDV613 ENRPGFAAVE623 LRLRNYYYDV 633 VNE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0K0 or .0K02 or .0K03 or :30K0;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:385 or .A:400 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; 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-Amino-6-[3-(1-Methyl-1h-Pyrazol-4-Yl)phenyl]-N-[(1r,2r,3s,5s,7s)-5-Hydroxyadamantan-2-Yl]pyrazine-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of spleen tyrosine kinase complexed with an adamantylpyrazine inhibitor | PDB:4DFN | ||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | No | [36] |
| PDB Sequence |
VYLDRKLLTL
372 EDKELGSGNF382 GTVKKGYYQM392 KKVVKTVAVK402 ILKPALKDEL417 LAEANVMQQL 427 DNPYIVRMIG437 ICEAESWMLV447 MEMAELGPLN457 KYLQQNRHVK467 DKNIIELVHQ 477 VSMGMKYLEE487 SNFVHRDLAA497 RNVLLVTQHY507 AKISDFGLSK517 ALRADENYYK 527 AQTHGKWPVK537 WYAPECINYY547 KFSSKSDVWS557 FGVLMWEAFS567 YGQKPYRGMK 577 GSEVTAMLEK587 GERMGCPAGC597 PREMYDLMNL607 CWTYDVENRP617 GFAAVELRLR 627 NYYYDVVNE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0K1 or .0K12 or .0K13 or :30K1;style chemicals stick;color identity;select .A:377 or .A:378 or .A:379 or .A:382 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.703
GLY378
3.938
SER379
4.314
PHE382
3.763
VAL385
3.526
ALA400
3.387
LYS402
4.078
VAL433
3.752
MET448
2.987
GLU449
2.862
MET450
3.689
|
|||||
| Ligand Name: N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine | Ligand Info | |||||
| Structure Description | SYK in COMPLEX WITH LIGAND LASW836 | PDB:4F4P | ||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [37] |
| PDB Sequence |
LDRKLLTLED
374 KELGSGNFGT384 VKKGYVKTVA400 VKILKPALKD415 ELLAEANVMQ425 QLDNPYIVRM 435 IGICEAESWM445 LVMEMAELGP455 LNKYLQQNRH465 VKDKNIIELV475 HQVSMGMKYL 485 EESNFVHRDL495 AARNVLLVTQ505 HYAKISDFGL515 SKALRADENY525 YKAQTHGKWP 535 VKWYAPECIN545 YYKFSSKSDV555 WSFGVLMWEA565 FSYGQKPYRG575 MKGSEVTAML 585 EKGERMGCPA595 GCPREMYDLM605 NLCWTYDVEN615 RPGFAAVELR625 LRNYYYDVVN 635 EG
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0SB or .0SB2 or .0SB3 or :30SB;style chemicals stick;color identity;select .A:377 or .A:378 or .A:385 or .A:400 or .A:402 or .A:433 or .A:448 or .A:449 or .A:450 or .A:451 or .A:452 or .A:453 or .A:454 or .A:455 or .A:458 or .A:498 or .A:499 or .A:501 or .A:511 or .A:512; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU377
3.754
GLY378
3.633
VAL385
3.059
ALA400
3.360
LYS402
4.150
VAL433
4.070
MET448
2.939
GLU449
3.195
MET450
3.546
ALA451
3.084
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A novel mode of Gleevec binding is revealed by the structure of spleen tyrosine kinase. J Biol Chem. 2004 Dec 31;279(53):55827-32. | ||||
| REF 2 | Discovery of GS-9973, a selective and orally efficacious inhibitor of spleen tyrosine kinase. J Med Chem. 2014 May 8;57(9):3856-73. | ||||
| REF 3 | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). Bioorg Med Chem Lett. 2016 Dec 15;26(24):5947-5950. | ||||
| REF 4 | Discovery of Lanraplenib (GS-9876): A Once-Daily Spleen Tyrosine Kinase Inhibitor for Autoimmune Diseases. ACS Med Chem Lett. 2020 Feb 12;11(4):506-513. | ||||
| REF 5 | Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes. Chem Biol Drug Des. 2009 Apr;73(4):466-70. | ||||
| REF 6 | Discovery and profiling of a selective and efficacious Syk inhibitor. J Med Chem. 2015 Feb 26;58(4):1950-63. | ||||
| REF 7 | Discovery of potent and selective Spleen Tyrosine Kinase inhibitors for the topical treatment of inflammatory skin disease. Bioorg Med Chem Lett. 2018 Nov 15;28(21):3458-62. | ||||
| REF 8 | Structural and biophysical characterization of the Syk activation switch. J Mol Biol. 2013 Jan 23;425(2):309-33. | ||||
| REF 9 | Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor. Bioorg Med Chem Lett. 2011 Oct 15;21(20):6188-94. | ||||
| REF 10 | SYK Kinase domain in complex with azabenzimidazole inhibitor 3 | ||||
| REF 11 | SYK Kinase domain in complex with azabenzimidazole inhibitor 18 | ||||
| REF 12 | SYK Kinase domain in complex with azabenzimidazole inhibitor 7 | ||||
| REF 13 | SYK Kinase domain in complex with azabenzimidazole inhibitor 16 | ||||
| REF 14 | Imidazotriazines: Spleen Tyrosine Kinase (Syk) Inhibitors Identified by Free-Energy Perturbation (FEP). ChemMedChem. 2016 Jan 19;11(2):217-33. | ||||
| REF 15 | SYK Kinase domain in complex with azabenzimidazole inhibitor 2b | ||||
| REF 16 | X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg Med Chem Lett. 2012 May 1;22(9):3296-300. | ||||
| REF 17 | Discovery of a Series of Potent, Selective and Orally Bioavailable SYK Inhibitors | ||||
| REF 18 | Identification of type-II inhibitors using kinase structures. Chem Biol Drug Des. 2012 Nov;80(5):657-64. | ||||
| REF 19 | SYK Kinase domain in complex with azabenzimidazole inhibitor 4 | ||||
| REF 20 | SYK Kinase domain in complex with diamine inhibitor 5 | ||||
| REF 21 | A Novel Triazolopyridine-Based Spleen Tyrosine Kinase Inhibitor That Arrests Joint Inflammation. PLoS One. 2016 Jan 12;11(1):e0145705. | ||||
| REF 22 | Crystal Structures of Spleen Tyrosine Kinase in Complex with Two Novel 4-Aminopyrido[4,3-d] Pyrimidine Derivative Inhibitors. Mol Cells. 2018 Jun;41(6):545-552. | ||||
| REF 23 | Rational design of highly selective spleen tyrosine kinase inhibitors. J Med Chem. 2012 Dec 13;55(23):10414-23. | ||||
| REF 24 | Carboxamide Spleen Tyrosine Kinase (Syk) Inhibitors: Leveraging Ground State Interactions To Accelerate Optimization. ACS Med Chem Lett. 2016 Oct 7;7(12):1151-1155. | ||||
| REF 25 | Syk inhibitors with high potency in presence of blood. Bioorg Med Chem Lett. 2014 May 15;24(10):2278-82. | ||||
| REF 26 | Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. J Med Chem. 2013 Feb 28;56(4):1677-92. | ||||
| REF 27 | Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors. J Med Chem. 2014 Mar 27;57(6):2683-91. | ||||
| REF 28 | Orally bioavailable Syk inhibitors with activity in a rat PK/PD model. Bioorg Med Chem Lett. 2015 Oct 15;25(20):4642-7. | ||||
| REF 29 | A specific SYK inhibitor blocks B Cell Receptor, Fc Receptor, and Toll-like Receptor 9 pathways for the treatment of inflammatory diseases. | ||||
| REF 30 | Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK). Bioorg Med Chem Lett. 2008 Dec 1;18(23):6231-5. | ||||
| REF 31 | Synthesis and optimization of furano[3,2-d]pyrimidines as selective spleen tyrosine kinase (Syk) inhibitors. Bioorg Med Chem Lett. 2016 Nov 15;26(22):5562-5567. | ||||
| REF 32 | Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs. FEBS J. 2016 Oct;283(19):3613-3625. | ||||
| REF 33 | Highly potent and selective pyrazolylpyrimidines as Syk kinase inhibitors. Bioorg Med Chem Lett. 2015 Oct 15;25(20):4441-6. | ||||
| REF 34 | THE KINASE DOMAIN OF HUMAN SPLEEN TYROSINE (SYK) IN COMPLEX WITH GTC000250 | ||||
| REF 35 | Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors. Bioorg Med Chem Lett. 2016 Oct 1;26(19):4606-4612. | ||||
| REF 36 | Pyrazine-based Syk kinase inhibitors. Bioorg Med Chem Lett. 2012 Apr 15;22(8):2784-8. | ||||
| REF 37 | Highly potent aminopyridines as Syk kinase inhibitors. Bioorg Med Chem Lett. 2012 Sep 1;22(17):5419-23. | ||||
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