3D structures mapped by conservation among orthologs

[ Domain: "Alpha-2,3/8-sialyltransferase CstII-related" // Glyco_transf_29 ]

 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
CHEMBL1170899		IC50	=	610.0	nM	386.49	C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc(C=O)c(C=O)c1O2	Homo sapiens	CHEMBL3598449	single protein format
CHEMBL4117853		Ki	=	19.0	nM	585.4	Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@H](c3cccc(Oc4ccccc4)c3)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1	Homo sapiens	CHEMBL5108132	single protein format
CHEMBL4091389		Ki	=	20.0	nM	594.29	Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(C(=O)N3CCCCC3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL4006076	single protein format
CHEMBL4063545		Ki	=	60.0	nM	580.27	Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(C(=O)N3CCCC3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL4006076	single protein format
CHEMBL4081024		Ki	=	200.0	nM	559.25	Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(c3ccccc3)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL4006076	single protein format
CHEMBL4083608		Ki	=	224.0	nM	594.25	Nc1ccn([C@@H]2O[C@H](COP(=O)([O-])OC(CN3C(=O)CCC3=O)P(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)n1.[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL4006076	single protein format