3D structures mapped by conservation among orthologs

[ Domain: "PH domain-like" // FERM_C_FAK1 ]

 PyMOL session

[ Domain: "Acyl-CoA binding protein-like" // FERM_M ]

 PyMOL session

[ Domain: "FAT domain of focal adhesion kinase" // Focal_AT ]

 PyMOL session

[ Domain: "Ubiquitin-like" // KOG4257 ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL4862042		IC50	=	0.6	nM	509.51	CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3cccnc3N(C)S(C)(=O)=O)n2)cc1	Homo sapiens	CHEMBL4814465	single protein format
CHEMBL3949755		IC50	=	0.67	nM	478.5	CS(=O)(=O)N1CCCc2cccc(c2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3958414		IC50	=	0.84	nM	561.59	CS(=O)(=O)N1C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3956954		IC50	=	0.9	nM	560.6	CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2ccccc21	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3987106		IC50	=	1.31	nM	563.61	CS(=O)(=O)N1CCCc2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3899046		IC50	=	1.5	nM	574.63	CN1Cc2ccccc2N(S(C)(=O)=O)CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c1n2	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3969464		IC50	=	1.55	nM	575.62	CN1Cc2cccnc2N(S(C)(=O)=O)C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c1n2	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3908093		IC50	=	1.9	nM	574.63	CCS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2ccccc21	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL452341		IC50	=	2.0	nM	542.57	CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CS(=O)(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O	Homo sapiens	CHEMBL960612	single protein format
CHEMBL3961368		IC50	=	2.6	nM	476.48	CS(=O)(=O)N1C/C=C/c2cccc(c2)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3977870		IC50	=	2.7	nM	575.62	CN1Cc2ccncc2N(S(C)(=O)=O)C/C=C/c2cc(ccc2N2CCOCC2)Nc2ncc(C(F)(F)F)c1n2	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3889951		IC50	=	3.1	nM	561.59	CS(=O)(=O)N1CCCCC(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL3912281		IC50	=	3.5	nM	533.54	O=C1CCCNS(=O)(=O)c2ncccc2CNc2nc(ncc2C(F)(F)F)Nc2ccc3c(c2)CCN13	Homo sapiens	CHEMBL3873676	cell-based format
CHEMBL487229		IC50	=	5.0	nM	506.51	CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CNC3=O)ncc1C(F)(F)F)S(C)(=O)=O	Homo sapiens	CHEMBL960612	single protein format
CHEMBL455680		IC50	=	6.0	nM	474.53	CC(=O)N1C2CCC1c1cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCC[C@H]4N(C)C)n3)ccc12	Homo sapiens	CHEMBL960612	single protein format
CHEMBL2207440		IC50	=	6.4	nM	465.56	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(-c3ccc4ncccc4c3)[nH]n2)cc1	Homo sapiens	CHEMBL2209550	single protein format
CHEMBL388978		IC50	=	10.6	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL4328585	single protein format
CHEMBL3128069		IC50	=	12.0	nM	470.53	Cc1nc([C@](C)(O)CO)sc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1	Homo sapiens	CHEMBL3129256	single protein format
CHEMBL2207441		IC50	=	12.5	nM	466.55	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cc(-c3ccc4nccnc4c3)[nH]n2)cc1	Homo sapiens	CHEMBL2209550	single protein format
CHEMBL3286830		IC50	=	14.0	nM	406.42	C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21	Homo sapiens	CHEMBL3293405	single protein format