3D structures mapped by conservation among orthologs

[ Domain: "CBS-domain" // IMPDH_2nd_1 ]

 PyMOL session

[ Domain: "Tryptophan synthase beta subunit-like PLP-dependent enzymes" // PALP ]

 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
CHEMBL1172216		IC50	=	900.0	nM	556.52	COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2[C@H]2C(=O)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)cc1	Homo sapiens	CHEMBL4258356	single protein format
CHEMBL347862		IC50	=	1000.0	nM	91.07	NOCC(=O)O	Homo sapiens	CHEMBL4138486	single protein format