3D structures mapped by conservation among orthologs

[ Domain: "SH2" // SH2 ]

 PyMOL session

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

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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	CHEMBL4712043	single protein format
CHEMBL3322530		IC50	=	290.0	nM	325.75	CC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1	Homo sapiens	CHEMBL5126035	single protein format
CHEMBL1650889		IC50	=	335.0	nM	562.58	COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1	Homo sapiens	CHEMBL1664680	single protein format
CHEMBL472004		IC50	=	355.0	nM	459.46	O=S(=O)(O)c1ccc2cc(/N=N/c3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1	Homo sapiens	CHEMBL3707579	single protein format
CHEMBL1650891		IC50	=	378.0	nM	581.03	Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3ccc(Cl)c4ccccc34)nn2)cc1	Homo sapiens	CHEMBL1664680	single protein format
CHEMBL1650892		IC50	=	408.0	nM	546.58	Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1	Homo sapiens	CHEMBL1664680	single protein format
CHEMBL1650893		IC50	=	486.0	nM	583.63	COc1ccc2nc(NC(=O)CCCn3cc(-c4c(-c5cccc(C)c5)oc5cc(O)c(C(=O)O)cc45)nn3)sc2c1	Homo sapiens	CHEMBL1664680	single protein format
CHEMBL2316908		IC50	=	760.0	nM	446.46	O=C(O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)oc2cc1O	Homo sapiens	CHEMBL2317718	assay format
CHEMBL2396718		IC50	=	910.0	nM	503.94	CCCNC(=O)COc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2C#Cc2cccc(Cl)c2)cc1	Homo sapiens	CHEMBL2401201	single protein format