3D structures mapped by conservation among orthologs

[ Domain: "Glycosyl hydrolase domain" // Melibiase_2_C ]

 PyMOL session

[ Domain: "TIM barrels" // Glyco_hydro_31_N ]

 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
CHEMBL110458		IC50	=	70.0	nM	163.17	OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL831670	single protein format
CHEMBL3350086		IC50	=	670.0	nM	162.19	NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O	Homo sapiens	CHEMBL3870369	single protein format
CHEMBL469844		IC50	=	690.0	nM	163.17	OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL1168041	single protein format
CHEMBL469844		Ki	=	500.0	nM	163.17	OC[C@H]1N[C@H](CO)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL1168060	single protein format