3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_6 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 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
CHEMBL4863322		Ki	=	70.0	nM	469.91	Cc1nc2c3cc(-c4ccc(NS(=O)(=O)c5ncc[nH]5)cc4C)c(Cl)cc3[nH]c(=O)n2n1	Homo sapiens	CHEMBL4845003	assay format
CHEMBL4857707		Ki	=	110.0	nM	540.0	COc1ccc(S(=O)(=O)Nc2ccc(-c3cc4c(cc3Cl)[nH]c(=O)n3nc(C)nc43)c(C)c2)c(OC)c1	Homo sapiens	CHEMBL4845003	assay format
CHEMBL4862554		Ki	=	164.0	nM	432.89	CNS(=O)(=O)Nc1ccc(-c2cc3c(cc2Cl)[nH]c(=O)n2nc(C)nc32)c(C)c1	Homo sapiens	CHEMBL4845003	assay format
CHEMBL4846481		Ki	=	287.0	nM	421.84	Cc1nc2c3cc(-c4ccc(NS(C)(=O)=O)cc4F)c(Cl)cc3[nH]c(=O)n2n1	Homo sapiens	CHEMBL4845003	assay format
CHEMBL4854153		Ki	=	440.0	nM	419.88	Cc1nc2c3cc(-c4ccc(NCc5ncc[nH]5)cc4C)c(Cl)cc3[nH]c(=O)n2n1	Homo sapiens	CHEMBL4845003	assay format
CHEMBL4875904		Ki	=	500.0	nM	403.85	Cc1nc2c3cc(-c4ccc(NS(C)(=O)=O)cc4)c(Cl)cc3[nH]c(=O)n2n1	Homo sapiens	CHEMBL4845003	assay format
CHEMBL4873816		Ki	=	550.0	nM	438.3	Cc1nc2c3cc(-c4ccc(NS(C)(=O)=O)cc4Cl)c(Cl)cc3[nH]c(=O)n2n1	Homo sapiens	CHEMBL4845002	assay format
CHEMBL4863017		Ki	=	750.0	nM	417.88	Cc1nc2c3cc(-c4ccc(NS(C)(=O)=O)cc4C)c(Cl)cc3[nH]c(=O)n2n1	Homo sapiens	CHEMBL4845002	assay format
CHEMBL4868118		Ki	=	970.0	nM	433.88	COc1cc(-c2cc3c(cc2Cl)[nH]c(=O)n2nc(C)nc32)ccc1NS(C)(=O)=O	Homo sapiens	CHEMBL4845002	assay format