3D structures mapped by conservation among orthologs

[ Domain: "(Phosphotyrosine protein) phosphatases II" // Y_phosphatase ]

 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
CHEMBL5093253		IC50	<	1.0	nM	423.42	CC(C)(C#N)CCOc1cc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2cc1O	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL5080612		IC50	<	1.0	nM	497.57	CC(C)CCS(=O)(=O)N1CC=C(c2ccc3cc(O)c(N4CC(=O)NS4(=O)=O)c(F)c3c2)C1	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL5085615		IC50	=	1.0	nM	384.39	C[C@H](O)CCOc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2c1	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL5076419		IC50	=	1.0	nM	379.41	O=C1CN(c2c(O)cc3ccc(NCCC4CC4)cc3c2F)S(=O)(=O)N1	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL5070507		IC50	=	1.0	nM	469.52	O=C1CN(c2c(O)cc3ccc(C4CCN(S(=O)(=O)C5CC5)C4)cc3c2F)S(=O)(=O)N1	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL5092308		IC50	<	1.0	nM	416.43	O=C1CN(c2c(O)cc3ccc(-c4cnn(CC5CC5)c4)cc3c2F)S(=O)(=O)N1	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL5075269		IC50	<	1.0	nM	416.38	O=C1CN(c2c(O)cc3ccc(OCCC4CC4(F)F)cc3c2F)S(=O)(=O)N1	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL5084380		IC50	<	1.0	nM	455.49	CCS(=O)(=O)N1CC=C(c2ccc3cc(O)c(N4CC(=O)NS4(=O)=O)c(F)c3c2)C1	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL5085502		IC50	<	1.0	nM	407.42	CC(C)(C#N)CCOc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2c1	Homo sapiens	CHEMBL5030408	single protein format
CHEMBL426373		IC50	=	4.5	nM	368.51	CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@@H](CO)OC1=O	Homo sapiens	CHEMBL854190	single protein format
CHEMBL411295		IC50	=	7.0	nM	484.19	O=C(O)c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)P(=O)(O)O)cc3n2)c1	Homo sapiens	CHEMBL936456	single protein format
CHEMBL5415903		IC50	=	8.39	nM	375.18	O=C1CN(c2c(O)cc3ccc(Br)cc3c2F)S(=O)(=O)N1	Homo sapiens	CHEMBL5392767	single protein format
CHEMBL604457		IC50	=	12.6	nM	451.95	CS(=O)(=O)OC1C(Cl)CCCC1Cc1ccc(N2CC(=O)CS2(=O)=O)c(O)c1	Homo sapiens	CHEMBL1071696	single protein format
CHEMBL592290		IC50	=	14.0	nM	341.4	O=C1CN(c2c(O)cc(CC3CCCCC3)cc2F)S(=O)(=O)C1	Homo sapiens	CHEMBL1071696	single protein format
CHEMBL381584		IC50	=	15.0	nM	568.56	O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3nc4ccccc4[nH]3)cc2F)S(=O)(=O)[N-]1.[Na+]	Homo sapiens	CHEMBL870503	single protein format
CHEMBL410646		IC50	=	16.0	nM	443.39	CC(Cc1ccc(C(F)(F)P(=O)(O)O)cc1)(c1ccccc1)n1nnc2ccccc21	Homo sapiens	CHEMBL936456	single protein format
CHEMBL211352		IC50	=	18.0	nM	571.62	Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2C#N)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O.[Na+]	Homo sapiens	CHEMBL870503	single protein format
CHEMBL208114		IC50	=	18.0	nM	550.57	O=C1CC(c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2F)S(=O)(=O)[N-]1.[Na+]	Homo sapiens	CHEMBL870503	single protein format
CHEMBL4164960		IC50	=	18.6	nM	509.58	CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OCC)c(C(=O)OC)c1	Homo sapiens	CHEMBL4146361	single protein format
CHEMBL5268825		IC50	=	23.0	nM	588.58	O=P(O)(O)C(F)(F)c1ccc(C[C@](/C=C/c2ccccc2)(c2nc3ccccc3s2)n2nnc3ccccc32)cc1	Homo sapiens	CHEMBL5246415	assay format