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
CHEMBL4760558		IC50	=	0.12	nM	471.54	CS(=O)(=O)Nc1cc(C#N)cc(-c2c[nH]c3ncc(-c4cccc(C(=O)NC5CC5)c4)cc23)c1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4749291		IC50	=	0.13	nM	500.63	CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4762464		IC50	=	0.18	nM	445.5	CNC(=O)c1cccc(-c2cnc3[nH]cc(-c4cc(C#N)cc(NS(C)(=O)=O)c4)c3c2)c1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4759123		IC50	=	0.19	nM	526.67	CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(=O)(=O)C6CC6)c5)c4c3)cc2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4744045		IC50	=	0.21	nM	485.57	CS(=O)(=O)Nc1cc(C#N)cc(-c2c[nH]c3ncc(-c4cccc(C(=O)N5CCCC5)c4)cc23)c1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4751494		IC50	=	0.21	nM	514.61	CN1CCN(C(=O)c2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4788976		IC50	=	0.22	nM	528.64	CN(C)C1CCN(C(=O)c2cccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)c2)C1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4788405		IC50	=	0.22	nM	499.6	CS(=O)(=O)Nc1cc(C#N)cc(-c2c[nH]c3ncc(-c4cccc(C(=O)N5CCCCC5)c4)cc23)c1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4797452		IC50	=	0.23	nM	447.55	CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cc(C#N)c6[nH]ncc6c5)c4c3)cc2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4791330		IC50	=	0.25	nM	514.61	CN1CCN(C(=O)c2cccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)c2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4756005		IC50	=	0.3	nM	479.95	CNC(=O)c1cccc(-c2cnc3[nH]cc(-c4cc(C#N)c(Cl)c(NS(C)(=O)=O)c4)c3c2)c1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4788688		IC50	=	0.33	nM	490.54	CC(C)(Oc1ccc(-c2cnc3[nH]cc(-c4cc(C#N)cc(NS(C)(=O)=O)c4)c3c2)cc1)C(=O)O	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4760435		IC50	=	0.43	nM	535.07	CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cc(C#N)c(Cl)c(NS(C)(=O)=O)c5)c4c3)cc2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4754003		IC50	=	0.44	nM	422.54	CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ncc6c5)c4c3)cc2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4797770		IC50	=	0.47	nM	474.54	CC(C)(C(=O)O)c1ccc(-c2cnc3[nH]cc(-c4cc(C#N)cc(NS(C)(=O)=O)c4)c3c2)cc1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4746566		IC50	<	0.6	nM	382.85	CC(C)(Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O	Homo sapiens	CHEMBL4681967	single protein format
CHEMBL4780310		IC50	=	0.68	nM	510.02	CN1CCC(n2cc(-c3cnc4[nH]cc(-c5cc(C#N)c(Cl)c(NS(C)(=O)=O)c5)c4c3)cn2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4781043		IC50	=	0.8	nM	468.54	Cn1cc(-c2ccc(-c3cnc4[nH]cc(-c5cc(C#N)cc(NS(C)(=O)=O)c5)c4c3)cc2)cn1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL4743105		IC50	=	0.91	nM	407.52	CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5cccc(C#N)c5)c4c3)cc2)CC1	Homo sapiens	CHEMBL4679411	single protein format
CHEMBL3684049		IC50	=	1.3	nM	500.63	NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CN2CCC(N)CC2)cc1	Homo sapiens	CHEMBL3705651	single protein format