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
CHEMBL4741714		IC50	=	0.006	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	CHEMBL4687899	single protein format
CHEMBL3687474		IC50	=	0.01	nM	512.59	C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)C[C@@H](N)[C@H]1OCCC#N	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3687509		IC50	=	0.01	nM	554.61	CO[C@@H]1[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4CCOCC4)cc3F)n2)C[C@@H]1C	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3687493		IC50	=	0.01	nM	523.56	Cc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@@H](OCCC#N)[C@@H](C)C3)ccc2F)c(F)c1	Homo sapiens	CHEMBL3705754	single protein format
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	CHEMBL3888799	single protein format
CHEMBL3895124		IC50	=	0.013	nM	395.44	CCn1c(NC2(C)CC2)nc2c(-c3cc4c([nH]3)[C@@H](C)NC4=O)c(F)ccc2c1=O	Homo sapiens	CHEMBL3888799	single protein format
CHEMBL3691945		IC50	=	0.02	nM	522.54	Cc1cc(F)c(-c2nc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@@H](n4ccnn4)[C@@H](C)C3)ccc2F)c(F)c1	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3691960		IC50	=	0.02	nM	522.54	C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](N)[C@H]1n1ccnn1	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3687468		IC50	=	0.02	nM	542.56	COC(=O)N(C)[C@@H]1[C@H](N)CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@@H]1C	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL4513589		IC50	=	0.02	nM	418.5	C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(CC5(N)CC5)c(NC5(C)CC5)nc34)[nH]c21	Homo sapiens	CHEMBL4370145	single protein format
CHEMBL3691949		IC50	=	0.02	nM	539.56	COc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@@H](OCCC#N)[C@@H](C)C3)ccc2F)c(F)c1	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3687511		IC50	=	0.02	nM	528.58	CO[C@@H]1[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC(C)C)cc3F)n2)C[C@@H]1C	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3691921		IC50	=	0.02	nM	570.61	CO[C@H]1[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)C[C@@H]1C	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3691958		IC50	=	0.02	nM	529.52	COC(=O)N[C@@H]1[C@H](N)CN(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H]1C	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3687443		IC50	=	0.02	nM	486.56	CS[C@@H]1[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H]1C	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3691930		IC50	=	0.02	nM	577.63	C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](N)[C@H]1OCCS(C)(=O)=O	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3687505		IC50	=	0.02	nM	512.58	CO[C@@H]1[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C(C)C)cc3F)n2)C[C@@H]1C	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3691950		IC50	=	0.02	nM	524.55	C[C@H]1C[C@@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)c(F)cc2N)C[C@@H](N)[C@H]1OCCC#N	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3691926		IC50	=	0.02	nM	528.58	CO[C@H]1[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC(C)C)cc3F)n2)C[C@@H]1C	Homo sapiens	CHEMBL3705754	single protein format
CHEMBL3691928		IC50	=	0.02	nM	592.64	COc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@@H](OCCS(C)(=O)=O)[C@@H](C)C3)ccc2F)c(F)c1	Homo sapiens	CHEMBL3705754	single protein format