3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // Sulfotransfer_1 ]

 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
CHEMBL93124		Ki	=	5.1	nM	256.33	CNc1ccc(-c2nc3ccc(O)cc3s2)cc1	Homo sapiens	CHEMBL4482682	cell-based format
CHEMBL4557856		Ki	=	24.0	nM	257.31	COc1ccc(-c2nc3ccc(O)cc3s2)cc1	Homo sapiens	CHEMBL4482682	cell-based format
CHEMBL4525617		Ki	=	100.0	nM	284.34	CC(=O)Nc1ccc(-c2nc3ccc(O)cc3s2)cc1	Homo sapiens	CHEMBL4482682	cell-based format
CHEMBL490084		Ki	=	140.0	nM	245.28	Oc1ccc2nc(-c3ccc(F)cc3)sc2c1	Homo sapiens	CHEMBL4482682	cell-based format