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
CHEMBL4750435		IC50	=	130.0	nM	488.5	COc1ccc(-n2cc(-c3ccc4ccc(=O)oc4c3)c3cc(-c4ccc(C(=O)O)cc4)cnc32)cc1	Homo sapiens	CHEMBL4712047	single protein format
CHEMBL492894		IC50	=	200.0	nM	215.25	O=C(O)C1Nc2ccccc2C2C=CCC12	Homo sapiens	CHEMBL5392083	single protein format
CHEMBL584481		IC50	=	870.0	nM	595.7	O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)O	Homo sapiens	CHEMBL1047963	single protein format
CHEMBL1672291		IC50	=	1000.0	nM	527.0	CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(OCC(=O)O)cc3)c2=O)=N1	Homo sapiens	CHEMBL1679227	assay format
CHEMBL1672291		Ki	=	690.0	nM	527.0	CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)cc2)n2c(s/c(=C\c3ccc(OCC(=O)O)cc3)c2=O)=N1	Homo sapiens	CHEMBL1679238	assay format