3D structures mapped by conservation among orthologs

[ 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
CHEMBL3902148		IC50	=	0.012	nM	383.43	C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C)c(NC(C)(C)C)nc34)[nH]c21	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3940091		IC50	=	0.012	nM	393.49	CC(C)n1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)cccc2c1=O	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL4741714		IC50	=	0.018	nM	439.48	C[C@@H]1C[C@H](N)C[C@H](c2ccccc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1	Homo sapiens	CHEMBL4687900	single protein format
CHEMBL3909351		IC50	=	0.02	nM	394.48	Cn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](CCN)NC4=O)cccc2c1=O	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3949102		IC50	=	0.0354	nM	377.42	Cc1nc2ccc(F)c(-c3cc4c([nH]3)C3(CC3)NC4=O)c2nc1NC1(C)CC1	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3903686		IC50	=	0.0358	nM	390.49	Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1N[C@H]1CCC[C@@H](N)C1	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3918907		IC50	=	0.0378	nM	351.41	CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2[nH]c1=O	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3895124		IC50	=	0.0378	nM	395.44	CCn1c(NC2(C)CC2)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c(F)ccc2c1=O	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3949318		IC50	=	0.0484	nM	365.41	Cc1nc2ccc(F)c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC1(C)CC1	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3808669		IC50	=	0.05	nM	347.42	Cc1nc2cccc3c2nc1NCCCC[C@H]1CNC(=O)c2cc-3[nH]c21	Homo sapiens	CHEMBL3812018	assay format
CHEMBL4568404		IC50	=	0.05	nM	403.49	C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C5(C)CC5)c(NC5(C)CC5)nc34)[nH]c21	Homo sapiens	CHEMBL4370146	single protein format
CHEMBL3808887		IC50	=	0.05	nM	359.43	Cc1nc2cccc3c2nc1N[C@H](C)/C=C/C[C@H]1CNC(=O)c2cc-3[nH]c21	Homo sapiens	CHEMBL3812018	assay format
CHEMBL3949175		IC50	=	0.06	nM	393.47	C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c3N=C(NC3(C)CC3)N(C3CC3)C4)[nH]c21	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3896195		IC50	=	0.0667	nM	365.41	Cc1nc2ccc(F)c(-c3cc4c(=O)[nH]ccc4[nH]3)c2nc1NC(C)(C)C	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3810121		IC50	=	0.07	nM	345.41	Cc1nc2cccc3c2nc1NC/C=C\C[C@H]1CNC(=O)c2cc-3[nH]c21	Homo sapiens	CHEMBL3812018	assay format
CHEMBL3960373		IC50	=	0.0741	nM	397.45	CCn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c(F)ccc2c1=O	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3919725		IC50	=	0.076	nM	391.48	C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C5CC5)c(NC(C)(C)C)nc34)[nH]c21	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3909217		IC50	=	0.077	nM	379.46	CCn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)cccc2c1=O	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3933056		IC50	=	0.0783	nM	367.84	Cc1nc2cccc(-c3[nH]c4c(c3Cl)C(=O)NC4)c2nc1NC1(C)CC1	Homo sapiens	CHEMBL3888800	single protein format
CHEMBL3808662		IC50	=	0.08	nM	359.43	C/C1=C\C[C@H]2CNC(=O)c3cc([nH]c32)-c2cccc3nc(C)c(nc23)NC1	Homo sapiens	CHEMBL3812018	assay format