Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15068 | Target Info | |||
| Target Name | Focal adhesion kinase 1 (FAK) | ||||
| Synonyms | pp125FAK; p125FAK; Protein-tyrosine kinase 2; Protein phosphatase 1 regulatory subunit 71; PPP1R71; Focal adhesion kinase-related nonkinase; FRNK; FAK1; FADK 1; FADK | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PTK2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Crystal Structure of Focal Adhesion Kinase Domain with 2 molecules in the Asymmetric Unit Complexed with ADP and ATP | PDB:2IJM | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [1] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PENPALAVAI453 KTCKNCTSDS463 VREKFLQEAL 473 TMRQFDHPHI483 VKLIGVITEN493 PVWIIMELCT503 LGELRSFLQV513 RKYSLDLASL 523 ILYAYQLSTA533 LAYLESKRFV543 HRDIAARNVL553 VSSNDCVKLG563 DFGLSLPIKW 588 MAPESINFRR598 FTSASDVWMF608 GVCMWEILMH618 GVKPFQGVKN628 NDVIGRIENG 638 ERLPMPPNCP648 PTLYSLMTKC658 WAYDPSRRPR668 FTELKAQLST678 ILEEEKAQQE 688
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ILE428
3.512
GLY429
3.604
GLU430
3.569
GLY431
3.060
GLN432
2.557
PHE433
4.815
VAL436
3.461
ALA452
3.538
LYS454
2.932
GLU471
2.872
VAL484
4.507
MET499
3.340
GLU500
2.758
|
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| Ligand Name: PF-562271 | Ligand Info | |||||
| Structure Description | Crystal Structure Analysis of Focal Adhesion Kinase with a Methanesulfonamide Diaminopyrimidine Inhibitor | PDB:3BZ3 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [2] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PLAVAIKTCK457 NCTSDSVREK467 FLQEALTMRQ 477 FDHPHIVKLI487 GVITENPVWI497 IMELCTLGEL507 RSFLQVRKYS517 LDLASLILYA 527 YQLSTALAYL537 ESKRFVHRDI547 AARNVLVSSN557 DCVKLGDFGL567 SRYLPIKWMA 590 PESINFRRFT600 SASDVWMFGV610 CMWEILMHGV620 KPFQGVKNND630 VIGRIENGER 640 LPMPPNCPPT650 LYSLMTKCWA660 YDPSRRPRFT670 ELKAQLSTIL680 EEEKAQQEE |
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ARG426
2.633
ILE428
3.607
GLY429
3.935
GLU430
3.757
GLY431
4.329
VAL436
3.519
GLN438
3.631
ALA452
3.687
LYS454
4.500
VAL484
3.924
MET499
3.397
GLU500
3.164
LEU501
3.523
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| Ligand Name: PF-228 | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 6-[4-(3-Methanesulfonyl-benzylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-3,4-dihydro-1H-quinolin-2-one | PDB:6YOJ | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [3] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PENPALAVAI453 KTCKNCTSDS463 VREKFLQEAL 473 TMRQFDHPHI483 VKLIGVITEN493 PVWIIMELCT503 LGELRSFLQV513 RKYSLDLASL 523 ILYAYQLSTA533 LAYLESKRFV543 HRDIAARNVL553 VSSNDCVKLG563 DFGLSRLPIK 587 WMAPESINFR597 RFTSASDVWM607 FGVCMWEILM617 HGVKPFQGVK627 NNDVIGRIEN 637 GERLPMPPNC647 PPTLYSLMTK657 CWAYDPSRRP667 RFTELKAQLS677 TILEEEKAQ |
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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 .P4N or .P4N2 or .P4N3 or :3P4N;style chemicals stick;color identity;select .A:426 or .A:428 or .A:429 or .A:436 or .A:438 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:550 or .A:551 or .A:552 or .A:553 or .A:563 or .A:564 or .A:567 or .A:568; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG426
2.873
ILE428
3.566
GLY429
4.754
VAL436
3.704
GLN438
3.805
ALA452
3.399
LYS454
4.381
VAL484
3.977
MET499
3.239
GLU500
3.157
LEU501
3.641
CYS502
2.868
|
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| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of Focal Adhesion Kinase (FAK) | PDB:1MP8 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [4] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PPALAVAIKT455 CKNCTSDSVR465 EKFLQEALTM 475 RQFDHPHIVK485 LIGVITENPV495 WIIMELCTLG505 ELRSFLQVRK515 YSLDLASLIL 525 YAYQLSTALA535 YLESKRFVHR545 DIAARNVLVS555 SNDCVKLGDL584 PIKWMAPESI 594 NFRRFTSASD604 VWMFGVCMWE614 ILMHGVKPFQ624 GVKNNDVIGR634 IENGERLPMP 644 PNCPPTLYSL654 MTKCWAYDPS664 RRPRFTELKA674 QLSTILEEEK684 AQ |
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:428 or .A:429 or .A:430 or .A:431 or .A:432 or .A:433 or .A:436 or .A:452 or .A:454 or .A:471 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:505 or .A:506 or .A:550 or .A:553 or .A:564; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE428
3.271
GLY429
3.817
GLU430
3.189
GLY431
3.382
GLN432
2.948
PHE433
4.185
VAL436
3.350
ALA452
3.408
LYS454
2.831
GLU471
2.688
VAL484
3.715
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| Ligand Name: PMID23414845C30 | Ligand Info | |||||
| Structure Description | Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound. | PDB:4I4F | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [5] |
| PDB Sequence |
YEIQRERIEL
424 GRCIGEGQFG434 DVHQGIYMSP447 ALAVAIKTCK457 NCTSDSVREK467 FLQEALTMRQ 477 FDHPHIVKLI487 GVITENPVWI497 IMELCTLGEL507 RSFLQVRKYS517 LDLASLILYA 527 YQLSTALAYL537 ESKRFVHRDI547 AARNVLVSSN557 DCVKLGDFGL567 SKLPIKWMAP 591 ESINFRRFTS601 ASDVWMFGVC611 MWEILMHGVK621 PFQGVKNNDV631 IGRIENGERL 641 PMPPNCPPTL651 YSLMTKCWAY661 DPSRRPRFTE671 LKAQLSTILE681 EEKAQ |
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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 .1BR or .1BR2 or .1BR3 or :31BR;style chemicals stick;color identity;select .A:454 or .A:471 or .A:475 or .A:483 or .A:484 or .A:486 or .A:499 or .A:530 or .A:534 or .A:537 or .A:542 or .A:544 or .A:550 or .A:551 or .A:552 or .A:562 or .A:563 or .A:564 or .A:565 or .A:604 or .A:607 or .A:608 or .A:611 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS454
3.994
GLU471
4.859
MET475
3.573
ILE483
3.948
VAL484
3.394
LEU486
3.918
MET499
4.396
LEU530
4.547
LEU534
3.192
LEU537
4.431
PHE542
4.689
HIS544
3.751
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| Ligand Name: 8-(4-Ethylphenyl)-5-Methyl-2,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide | Ligand Info | |||||
| Structure Description | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | PDB:4EBV | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [6] |
| PDB Sequence |
SSTRDYEIQR
419 ERIELGRCIG429 EGQFGDVHQG439 IYMSPENPAL449 AVAIKTCKNC459 TSDSVREKFL 469 QEALTMRQFD479 HPHIVKLIGV489 ITENPVWIIM499 ELCTLGELRS509 FLQVRKYSLD 519 LASLILYAYQ529 LSTALAYLES539 KRFVHRDIAA549 RNVLVSSNDC559 VKLGDFGLKL 584 PIKWMAPESI594 NFRRFTSASD604 VWMFGVCMWE614 ILMHGVKPFQ624 GVKNNDVIGR 634 IENGERLPMP644 PNCPPTLYSL654 MTKCWAYDPS664 RRPRFTELKA674 QLSTILEEEK 684 AQ
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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 .0O7 or .0O72 or .0O73 or :30O7;style chemicals stick;color identity;select .A:474 or .A:475 or .A:478 or .A:483 or .A:534 or .A:537 or .A:542 or .A:544 or .A:550 or .A:551 or .A:552 or .A:562 or .A:563 or .A:564 or .A:604 or .A:607 or .A:608 or .A:611 or .A:669; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Ethyl-8-(4-Ethylphenyl)-5-Methyl-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide | Ligand Info | |||||
| Structure Description | Structure of Focal Adhesion Kinase catalytic domain in complex with novel allosteric inhibitor | PDB:4EBW | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [6] |
| PDB Sequence |
STRDYEIQRE
420 RIELGRCIGE430 GQFGDVHQGI440 YMSNPALAVA452 IKTCKNCTSD462 SVREKFLQEA 472 LTMRQFDHPH482 IVKLIGVITE492 NPVWIIMELC502 TLGELRSFLQ512 VRKYSLDLAS 522 LILYAYQLST532 ALAYLESKRF542 VHRDIAARNV552 LVSSNDCVKL562 GDFGLKLPIK 587 WMAPESINFR597 RFTSASDVWM607 FGVCMWEILM617 HGVKPFQGVK627 NNDVIGRIEN 637 GERLPMPPNC647 PPTLYSLMTK657 CWAYDPSRRP667 RFTELKAQLS677 TILEEEKAQ |
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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 .0PF or .0PF2 or .0PF3 or :30PF;style chemicals stick;color identity;select .A:474 or .A:475 or .A:478 or .A:483 or .A:534 or .A:537 or .A:542 or .A:544 or .A:550 or .A:551 or .A:552 or .A:562 or .A:563 or .A:564 or .A:604 or .A:607 or .A:608 or .A:611 or .A:669; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide | PDB:6YT6 | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [3] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 NPALAVAIKT455 CKNCTSDSVR465 EKFLQEALTM 475 RQFDHPHIVK485 LIGVITENPV495 WIIMELCTLG505 ELRSFLQVRK515 YSLDLASLIL 525 YAYQLSTALA535 YLESKRFVHR545 DIAARNVLVS555 SNDCVKLGDF565 GLSLPIKWMA 590 PESINFRRFT600 SASDVWMFGV610 CMWEILMHGV620 KPFQGVKNND630 VIGRIENGER 640 LPMPPNCPPT650 LYSLMTKCWA660 YDPSRRPRFT670 ELKAQLSTIL680 EEEKAQ |
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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 .PKE or .PKE2 or .PKE3 or :3PKE;style chemicals stick;color identity;select .A:426 or .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:438 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:550 or .A:551 or .A:553 or .A:563 or .A:564; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG426
3.219
ILE428
3.670
GLY429
3.212
GLU430
3.411
GLY431
3.985
VAL436
3.525
GLN438
3.630
ALA452
3.754
LYS454
4.843
VAL484
4.142
MET499
3.922
GLU500
3.193
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| Ligand Name: N-methyl-N-[3-[[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(3-{[2-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyridin-2-yl)-methanesulfonamide | PDB:6YQ1 | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [3] |
| PDB Sequence |
YEIQRERIEL
424 GRCIGEGQFG434 DVHQGIYMSP444 ENPALAVAIK454 TCKNCTSDSV464 REKFLQEALT 474 MRQFDHPHIV484 KLIGVITENP494 VWIIMELCTL504 GELRSFLQVR514 KYSLDLASLI 524 LYAYQLSTAL534 AYLESKRFVH544 RDIAARNVLV554 SSNDCVKLGD564 FGLSRYMEDS 574 TYYKAKLPIK587 WMAPESINFR597 RFTSASDVWM607 FGVCMWEILM617 HGVKPFQGVK 627 NNDVIGRIEN637 GERLPMPPNC647 PPTLYSLMTK657 CWAYDPSRRP667 RFTELKAQLS 677 TILEEEKAQ
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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 .P7N or .P7N2 or .P7N3 or :3P7N;style chemicals stick;color identity;select .A:426 or .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:438 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:550 or .A:551 or .A:552 or .A:553 or .A:563 or .A:564 or .A:567 or .A:568 or .A:577; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG426
3.478
ILE428
3.716
GLY429
4.092
GLU430
3.476
GLY431
4.564
VAL436
3.775
GLN438
3.930
ALA452
3.614
LYS454
4.589
VAL484
3.790
MET499
3.201
GLU500
3.298
LEU501
3.684
CYS502
2.871
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| Ligand Name: 6-(4,4-dimethylpent-2-ynyl)-4~{H}-pyrrolo[2,3-d][1,3]thiazole | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH Pyrrolo[2,3-d]thiazole | PDB:3PXK | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | Yes | [7] |
| PDB Sequence |
YEIQRERIEL
424 GRCIGEGQFG434 DVHQGIYMSP444 ENPALAVAIK454 TCKNCTSDSV464 REKFLQEALT 474 MRQFDHPHIV484 KLIGVITENP494 VWIIMELCTL504 GELRSFLQVR514 KYSLDLASLI 524 LYAYQLSTAL534 AYLESKRFVH544 RDIAARNVLV554 SSNDCVKLGD564 FGLPIKWMAP 591 ESINFRRFTS601 ASDVWMFGVC611 MWEILMHGVK621 PFQGVKNNDV631 IGRIENGERL 641 PMPPNCPPTL651 YSLMTKCWAY661 DPSRRPRFTE671 LKAQLSTILE681 EEKAQQ |
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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 .PXK or .PXK2 or .PXK3 or :3PXK;style chemicals stick;color identity;select .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:505 or .A:506 or .A:550 or .A:553 or .A:563; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[[4-(Pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 5-{4-[(Pyridin-3-ylmethyl)-amino]-5-trifluoromethyl-pyrimidin-2-ylamino}-1,3-dihydro-indol-2-one | PDB:6YVS | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [3] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PENPALAVAI453 KTCKNCTSDS463 VREKFLQEAL 473 TMRQFDHPHI483 VKLIGVITEN493 PVWIIMELCT503 LGELRSFLQV513 RKYSLDLASL 523 ILYAYQLSTA533 LAYLESKRFV543 HRDIAARNVL553 VSSNDCVKLG563 DFGLSRKLPI 586 KWMAPESINF596 RRFTSASDVW606 MFGVCMWEIL616 MHGVKPFQGV626 KNNDVIGRIE 636 NGERLPMPPN646 CPPTLYSLMT656 KCWAYDPSRR666 PRFTELKAQL676 STILEEEKAQ 686
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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 .PVT or .PVT2 or .PVT3 or :3PVT;style chemicals stick;color identity;select .A:426 or .A:428 or .A:429 or .A:436 or .A:438 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:550 or .A:553 or .A:563; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide | PDB:6YVY | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [3] |
| PDB Sequence |
TRDYEIQRER
421 IELGRCIGEG431 QFGDVHQGIY441 MSPENPALAV451 AIKTCKNCTS461 DSVREKFLQE 471 ALTMRQFDHP481 HIVKLIGVIT491 ENPVWIIMEL501 CTLGELRSFL511 QVRKYSLDLA 521 SLILYAYQLS531 TALAYLESKR541 FVHRDIAARN551 VLVSSNDCVK561 LGDFGLSRYM 571 GKLPIKWMAP591 ESINFRRFTS601 ASDVWMFGVC611 MWEILMHGVK621 PFQGVKNNDV 631 IGRIENGERL641 PMPPNCPPTL651 YSLMTKCWAY661 DPSRRPRFTE671 LKAQLSTILE 681 EEKAQ
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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 .P1E or .P1E2 or .P1E3 or :3P1E;style chemicals stick;color identity;select .A:426 or .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:550 or .A:553 or .A:563; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG426
2.822
ILE428
3.524
GLY429
3.751
GLU430
3.584
GLY431
4.953
VAL436
3.467
ALA452
3.405
LYS454
3.246
VAL484
3.737
MET499
3.216
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| Ligand Name: N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-{3-[(5-Cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-ylamino)- methyl]-pyridin-2-yl}-N-methyl-methanesulfonamide | PDB:4GU6 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [8] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 NPALAVAIKT455 CKNCTSDSVR465 EKFLQEALTM 475 RQFDHPHIVK485 LIGVITENPV495 WIIMELCTLG505 ELRSFLQVRK515 YSLDLASLIL 525 YAYQLSTALA535 YLESKRFVHR545 DIAARNVLVS555 SNDCVKLGDF565 GLSRYMEDST 575 YYKASKGKLP585 IKWMAPESIN595 FRRFTSASDV605 WMFGVCMWEI615 LMHGVKPFQG 625 VKNNDVIGRI635 ENGERLPMPP645 NCPPTLYSLM655 TKCWAYDPSR665 RPRFTELKAQ 675 LSTILEEEKA685 Q
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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 .10N or .10N2 or .10N3 or :310N;style chemicals stick;color identity;select .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:452 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:550 or .A:551 or .A:552 or .A:553 or .A:563 or .A:564 or .A:567 or .A:568; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE428
3.802
GLY429
4.078
GLU430
3.447
GLY431
4.706
VAL436
3.981
ALA452
3.962
VAL484
4.032
MET499
4.348
GLU500
3.260
LEU501
3.431
CYS502
2.839
THR503
3.591
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|||||
| Ligand Name: 1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-[4-(Pyridin-3-Yl)phenyl]urea | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-(4-pyridin-3- yl-phenyl)-urea | PDB:4KAO | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | Yes | [9] |
| PDB Sequence |
YEIQRERIEL
424 GRCIGEGQFG434 DVHQGIYMSP447 ALAVAIKTCK457 NCTSDSVREK467 FLQEALTMRQ 477 FDHPHIVKLI487 GVITENPVWI497 IMELCTLGEL507 RSFLQVRKYS517 LDLASLILYA 527 YQLSTALAYL537 ESKRFVHRDI547 AARNVLVSSN557 DCVKLGDFGL584 PIKWMAPESI 594 NFRRFTSASD604 VWMFGVCMWE614 ILMHGVKPFQ624 GVKNNDVIGR634 IENGERLPMP 644 PNCPPTLYSL654 MTKCWAYDPS664 RRPRFTELKA674 QLSTILEEEK684 AQ |
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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 .KAO or .KAO2 or .KAO3 or :3KAO;style chemicals stick;color identity;select .A:428 or .A:436 or .A:452 or .A:454 or .A:470 or .A:471 or .A:474 or .A:475 or .A:478 or .A:483 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:537 or .A:542 or .A:544 or .A:553 or .A:562 or .A:563 or .A:564 or .A:565; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE428
4.759
VAL436
4.488
ALA452
3.766
LYS454
4.159
GLN470
4.258
GLU471
2.507
THR474
3.426
MET475
3.236
PHE478
3.626
ILE483
3.666
VAL484
3.364
MET499
3.444
|
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| Ligand Name: [4-(2-Hydroxyethyl)piperidin-1-Yl][4-(5-Methyl-4,4-Dioxido-1,5-Dihydropyrazolo[4,3-C][2,1]benzothiazin-8-Yl)phenyl]methanone | Ligand Info | |||||
| Structure Description | Structure of Focal Adhesion Kinase catalytic domain in complex with hinge binding pyrazolobenzothiazine compound. | PDB:4I4E | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [5] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PNPALAVAIK454 TCKNCTSDSV464 REKFLQEALT 474 MRQFDHPHIV484 KLIGVITENP494 VWIIMELCTL504 GELRSFLQVR514 KYSLDLASLI 524 LYAYQLSTAL534 AYLESKRFVH544 RDIAARNVLV554 SSNDCVKLGD564 FLPIKWMAPE 592 SINFRRFTSA602 SDVWMFGVCM612 WEILMHGVKP622 FQGVKNNDVI632 GRIENGERLP 642 MPPNCPPTLY652 SLMTKCWAYD662 PSRRPRFTEL672 KAQLSTILEE682 EKAQ |
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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 .1BQ or .1BQ2 or .1BQ3 or :31BQ;style chemicals stick;color identity;select .A:426 or .A:428 or .A:429 or .A:436 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:510 or .A:513 or .A:553; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of PTK2 in complex with BI-4464. | PDB:6I8Z | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [10] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PENPALAVAI453 KTCKNCTSDS463 VREKFLQEAL 473 TMRQFDHPHI483 VKLIGVITEN493 PVWIIMELCT503 LGELRSFLQV513 RKYSLDLASL 523 ILYAYQLSTA533 LAYLESKRFV543 HRDIAARNVL553 VSSNDCVKLG563 DFGLSRLPIK 587 WMAPESINFR597 RFTSASDVWM607 FGVCMWEILM617 HGVKPFQGVK627 NNDVIGRIEN 637 GERLPMPPNC647 PPTLYSLMTK657 CWAYDPSRRP667 RFTELKAQLS677 TILEEEKAQQ 687 E
|
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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 .H82 or .H822 or .H823 or :3H82;style chemicals stick;color identity;select .A:426 or .A:427 or .A:428 or .A:429 or .A:430 or .A:436 or .A:438 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:550 or .A:551 or .A:552 or .A:553 or .A:563 or .A:564 or .A:567 or .A:568; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG426
2.881
CYS427
3.478
ILE428
2.021
GLY429
2.395
GLU430
4.347
VAL436
3.054
GLN438
2.335
ALA452
2.928
LYS454
3.756
VAL484
2.729
MET499
2.593
GLU500
2.268
LEU501
2.523
|
|||||
| Ligand Name: 3,5-Dihydro[1,2,4]triazino[3,4-C][1,4]benzoxazin-2(1h)-One | Ligand Info | |||||
| Structure Description | Crystal Structure of human Focal Adhesion Kinase (Fak) bound to Compound1 (3,5-DIHYDRO[1,2,4]TRIAZINO[3,4-C][1,4]BENZOXAZIN-2(1H)-ONE) | PDB:4Q9S | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [11] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PPALAVAIKT455 CKNCTSDSVR465 EKFLQEALTM 475 RQFDHPHIVK485 LIGVITENPV495 WIIMELCTLG505 ELRSFLQVRK515 YSLDLASLIL 525 YAYQLSTALA535 YLESKRFVHR545 DIAARNVLVS555 SNDCVKLGDL584 PIKWMAPESI 594 NFRRFTSASD604 VWMFGVCMWE614 ILMHGVKPFQ624 GVKNNDVIGR634 IENGERLPMP 644 PNCPPTLYSL654 MTKCWAYDPS664 RRPRFTELKA674 QLSTILEEEK684 AQ |
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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 .30G or .30G2 or .30G3 or :330G;style chemicals stick;color identity;select .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:505 or .A:506 or .A:553; 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-Pyridin-2-Yl-N-(3,4,5-Trimethoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine | Ligand Info | |||||
| Structure Description | Crystal Structure of Focal Adhesion Kinase Domain Complexed with 7H-Pyrrolo [2,3-d] pyrimidine Derivative | PDB:2ETM | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [12] |
| PDB Sequence |
YEIQRERIEL
424 GRCIGEGQFG434 DVHQGIYMSP444 ENPALAVAIK454 TCKNCTSDSV464 REKFLQEALT 474 MRQFDHPHIV484 KLIGVITENP494 VWIIMELCTL504 GELRSFLQVR514 KYSLDLASLI 524 LYAYQLSTAL534 AYLESKRFVH544 RDIAARNVLV554 SSNDCVKLGD564 FGLSRYMEKL 584 PIKWMAPESI594 NFRRFTSASD604 VWMFGVCMWE614 ILMHGVKPFQ624 GVKNNDVIGR 634 IENGERLPMP644 PNCPPTLYSL654 MTKCWAYDPS664 RRPRFTELKA674 QLSTILEEEK 684 AQ
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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 .7PY or .7PY2 or .7PY3 or :37PY;style chemicals stick;color identity;select .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:438 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:553; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-(6-Amino-9h-Purin-9-Yl)phenyl]-3-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]urea | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE Catalytic domain in complex with 1-[4-(6-Amino-purin-9-yl)-phenyl]-3-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-urea | PDB:4K9Y | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [9] |
| PDB Sequence |
YEIQRERIEL
424 GRCIGEGQFG434 DVHQGIYMSP444 ENPALAVAIK454 TCKNCTSDSV464 REKFLQEALT 474 MRQFDHPHIV484 KLIGVITENP494 VWIIMELCTL504 GELRSFLQVR514 KYSLDLASLI 524 LYAYQLSTAL534 AYLESKRFVH544 RDIAARNVLV554 SSNDCVKLGD564 FGLSRYMEDS 574 TYYKASKGKL584 PIKWMAPESI594 NFRRFTSASD604 VWMFGVCMWE614 ILMHGVKPFQ 624 GVKNNDVIGR634 IENGERLPMP644 PNCPPTLYSL654 MTKCWAYDPS664 RRPRFTELKA 674 QLSTILEEEK684 A
|
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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 .K9Y or .K9Y2 or .K9Y3 or :3K9Y;style chemicals stick;color identity;select .A:428 or .A:436 or .A:452 or .A:454 or .A:470 or .A:471 or .A:474 or .A:475 or .A:478 or .A:483 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:505 or .A:537 or .A:542 or .A:544 or .A:553 or .A:562 or .A:563 or .A:564 or .A:565 or .A:569 or .A:570; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE428
3.628
VAL436
4.843
ALA452
3.705
LYS454
4.150
GLN470
4.300
GLU471
2.739
THR474
3.924
MET475
3.373
PHE478
3.761
ILE483
3.759
VAL484
3.589
MET499
3.625
GLU500
3.258
LEU501
3.779
|
|||||
| Ligand Name: N-(2-Fluorophenyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine | Ligand Info | |||||
| Structure Description | Focal adhesion kinase catalytic domain in complex with (2-Fluoro-phenyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine | PDB:4GU9 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [8] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PPALAVAIKT455 CKNCTSDSVR465 EKFLQEALTM 475 RQFDHPHIVK485 LIGVITENPV495 WIIMELCTLG505 ELRSFLQVRK515 YSLDLASLIL 525 YAYQLSTALA535 YLESKRFVHR545 DIAARNVLVS555 SNDCVKLGDF565 LPIKWMAPES 593 INFRRFTSAS603 DVWMFGVCMW613 EILMHGVKPF623 QGVKNNDVIG633 RIENGERLPM 643 PPNCPPTLYS653 LMTKCWAYDP663 SRRPRFTELK673 AQLSTILEEE683 KA |
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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 .4GU or .4GU2 or .4GU3 or :34GU;style chemicals stick;color identity;select .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:505 or .A:506 or .A:553; 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-Methyl-1,5-Dihydropyrazolo[4,3-C]pyrazole | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH 3-Methyl-1,4-dihydro-pyrazolo[4,5-c]pyrazole | PDB:4KAB | ||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | No | [9] |
| PDB Sequence |
TRDYEIQRER
421 IELGRCIGEG431 QFGDVHQGIY441 MSPPALAVAI453 KTCKNCTSDS463 VREKFLQEAL 473 TMRQFDHPHI483 VKLIGVITEN493 PVWIIMELCT503 LGELRSFLQV513 RKYSLDLASL 523 ILYAYQLSTA533 LAYLESKRFV543 HRDIAARNVL553 VSSNDCVKLG563 DFLPIKWMAP 591 ESINFRRFTS601 ASDVWMFGVC611 MWEILMHGVK621 PFQGVKNNDV631 IGRIENGERL 641 PMPPNCPPTL651 YSLMTKCWAY661 DPSRRPRFTE671 LKAQLSTILE681 EEKAQ |
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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 .4KA or .4KA2 or .4KA3 or :34KA;style chemicals stick;color identity;select .A:428 or .A:436 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:553; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(5-Bromo-3-pyridyl)-1H-tetrazole | Ligand Info | |||||
| Structure Description | Fragment-based discovery of Focal Adhesion Kinase Inhibitors | PDB:4K8A | ||||
| Method | X-ray diffraction | Resolution | 2.91 Å | Mutation | No | [9] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PPALAVAIKT455 CKNCTSDSVR465 EKFLQEALTM 475 RQFDHPHIVK485 LIGVITENPV495 WIIMELCTLG505 ELRSFLQVRK515 YSLDLASLIL 525 YAYQLSTALA535 YLESKRFVHR545 DIAARNVLVS555 SNDCVKLGDF565 GLPIKWMAPE 592 SINFRRFTSA602 SDVWMFGVCM612 WEILMHGVKP622 FQGVKNNDVI632 GRIENGERLP 642 MPPNCPPTLY652 SLMTKCWAYD662 PSRRPRFTEL672 KAQLSTILEE682 E |
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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 .K8A or .K8A2 or .K8A3 or :3K8A;style chemicals stick;color identity;select .A:428 or .A:429 or .A:430 or .A:436 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:505 or .A:506 or .A:553; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide | PDB:6YR9 | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [3] |
| PDB Sequence |
YEIQRERIEL
424 GRCIGEGQFG434 DVHQGIYMSP444 ENPALAVAIK454 TCKNCTSDSV464 REKFLQEALT 474 MRQFDHPHIV484 KLIGVITENP494 VWIIMELCTL504 GELRSFLQVR514 KYSLDLASLI 524 LYAYQLSTAL534 AYLESKRFVH544 RDIAARNVLV554 SSNDCVKLGD564 FGLSRYMLPI 586 KWMAPESINF596 RRFTSASDVW606 MFGVCMWEIL616 MHGVKPFQGV626 KNNDVIGRIE 636 NGERLPMPPN646 CPPTLYSLMT656 KCWAYDPSRR666 PRFTELKAQL676 STILEEEKAQ 686
|
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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 .P9K or .P9K2 or .P9K3 or :3P9K;style chemicals stick;color identity;select .A:426 or .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:438 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:504 or .A:505 or .A:506 or .A:550 or .A:551 or .A:552 or .A:553 or .A:563 or .A:564 or .A:567 or .A:568; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG426
4.049
ILE428
3.235
GLY429
4.026
GLU430
3.558
GLY431
4.532
VAL436
3.694
GLN438
4.214
ALA452
3.548
LYS454
4.641
VAL484
3.976
MET499
3.236
GLU500
3.356
LEU501
3.524
|
|||||
| Ligand Name: ~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide | Ligand Info | |||||
| Structure Description | FOCAL ADHESION KINASE CATALYTIC DOMAIN IN COMPLEX WITH N-Methyl-N-{3-[(2-phenylamino-5-trifluoromethyl-pyrimidin-4-ylamino)-methyl]-pyridin-2-yl}-methanesulfonamide | PDB:6YXV | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| PDB Sequence |
DYEIQRERIE
423 LGRCIGEGQF433 GDVHQGIYMS443 PENPALAVAI453 KTCKNCTSDS463 VREKFLQEAL 473 TMRQFDHPHI483 VKLIGVITEN493 PVWIIMELCT503 LGELRSFLQV513 RKYSLDLASL 523 ILYAYQLSTA533 LAYLESKRFV543 HRDIAARNVL553 VSSNDCVKLG563 DFGLSRYMLP 585 IKWMAPESIN595 FRRFTSASDV605 WMFGVCMWEI615 LMHGVKPFQG625 VKNNDVIGRI 635 ENGERLPMPP645 NCPPTLYSLM655 TKCWAYDPSR665 RPRFTELKAQ675 LSTILEEEKA 685 Q
|
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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 .Q2H or .Q2H2 or .Q2H3 or :3Q2H;style chemicals stick;color identity;select .A:426 or .A:428 or .A:429 or .A:430 or .A:431 or .A:436 or .A:452 or .A:454 or .A:484 or .A:499 or .A:500 or .A:501 or .A:502 or .A:503 or .A:505 or .A:506 or .A:550 or .A:551 or .A:552 or .A:553 or .A:563 or .A:564 or .A:567 or .A:568; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG426
4.117
ILE428
3.514
GLY429
3.862
GLU430
3.359
GLY431
4.350
VAL436
3.527
ALA452
3.677
LYS454
4.828
VAL484
3.569
MET499
3.455
GLU500
3.265
LEU501
3.612
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of Focal Adhesion Kinase Catalytic Domain Complexed with ATP and Novel 7H-Pyrrolo [2,3-d] pyrimidine Inhibitor Scaffolds | ||||
| REF 2 | Antitumor activity and pharmacology of a selective focal adhesion kinase inhibitor, PF-562,271. Cancer Res. 2008 Mar 15;68(6):1935-44. | ||||
| REF 3 | Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. Cell Chem Biol. 2021 May 20;28(5):686-698.e7. | ||||
| REF 4 | Structures of the cancer-related Aurora-A, FAK, and EphA2 protein kinases from nanovolume crystallography. Structure. 2002 Dec;10(12):1659-67. | ||||
| REF 5 | Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg Med Chem Lett. 2013 Mar 15;23(6):1779-85. | ||||
| REF 6 | Discovery and characterization of novel allosteric FAK inhibitors. Eur J Med Chem. 2013 Mar;61:49-60. | ||||
| REF 7 | Co-crystal Structures of FAK with an Unprecedented Pyrrolo[2,3-d]thiazole | ||||
| REF 8 | Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors. J Med Chem. 2013 Feb 14;56(3):1160-70. | ||||
| REF 9 | Fragment-based discovery of focal adhesion kinase inhibitors. Bioorg Med Chem Lett. 2013 Oct 1;23(19):5401-9. | ||||
| REF 10 | Highly Selective PTK2 Proteolysis Targeting Chimeras to Probe Focal Adhesion Kinase Scaffolding Functions. J Med Chem. 2019 Mar 14;62(5):2508-2520. | ||||
| REF 11 | Discovery of selective and orally bioavailable protein kinase C (PKC) inhibitors from a fragment hit. J Med Chem. 2015 Jan 8;58(1):222-36. | ||||
| REF 12 | Crystal Structure of Focal Adhesion Kinase Domain Complexed with ATP and novel 7H-Pyrrolo [2,3-d] pyrimidine scaffolds | ||||
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