3D structures mapped by conservation among orthologs

[ Domain: "Glycosyl hydrolase domain" // Glyco_hydro_31_C ]

 PyMOL session

[ Domain: "supersandwich" // Gal_mutarotas_2 ]

 PyMOL session

[ Domain: "Putative glucosidase YicI, C-terminal domain" // DUF5110_1 ]

 PyMOL session

[ Domain: "TIM barrels" // Glyco_hydro_31_N ]

 PyMOL session

[ Domain: "Trefoil/Plexin domain-like" // Trefoil ]

 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
CHEMBL2051983		IC50	=	4.9	nM	353.37	CO[C@H]1O[C@H](C)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL2374254		IC50	=	5.8	nM	313.35	OC[C@@]1(O)C[C@H](NC[C@H](O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL3349432		IC50	=	6.1	nM	291.34	OC[C@@]1(O)C[C@H](N[C@@H]2CCCC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL2374253		IC50	=	13.0	nM	313.35	OC[C@H](N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1	Homo sapiens	CHEMBL710105	single protein format
CHEMBL3349431		IC50	=	15.0	nM	253.25	OCN(CO)[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL2051761		IC50	=	28.0	nM	336.39	C[C@H]1C[C@H](N)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL501355		IC50	=	40.0	nM	193.2	OC[C@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL649260	single protein format
CHEMBL3349442		IC50	=	43.0	nM	411.54	CC(C)(C)c1cc(CN[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL2442258		IC50	=	60.0	nM	207.23	CN1[C@H](CO)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	Homo sapiens	CHEMBL649260	single protein format
CHEMBL2051762		IC50	=	68.0	nM	337.37	C[C@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL2051982		IC50	=	70.0	nM	337.37	C[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL2051981		IC50	=	72.0	nM	369.37	CO[C@H]1O[C@H](CO)[C@@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL2051759		IC50	=	100.0	nM	369.37	CO[C@H]1O[C@H](CO)[C@H](N[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL3349437		IC50	=	100.0	nM	297.35	OC[C@@]1(O)C[C@H](NCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL75971		IC50	=	120.0	nM	177.2	CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	Homo sapiens	CHEMBL710107	cell membrane format
CHEMBL3814496		IC50	=	150.0	nM	425.89	O=[N+]([O-])c1ccccc1CO[C@@H](CO)[C@H](O)C[S+]1C[C@@H](O)[C@H](O)[C@H]1CO.[Cl-]	Homo sapiens	CHEMBL3815265	assay format
CHEMBL3349441		IC50	=	200.0	nM	289.35	OC[C@@]1(O)C[C@H](NCc2cccs2)[C@H](O)[C@@H](O)[C@@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL3349435		IC50	=	230.0	nM	362.22	OC[C@@]1(O)C[C@H](NCc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL3349433		IC50	=	240.0	nM	289.37	OC[C@@]1(O)C[C@H](NCC2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O	Homo sapiens	CHEMBL710105	single protein format
CHEMBL3349443		IC50	=	270.0	nM	309.36	OC[C@@]1(O)C[C@H](NC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	Homo sapiens	CHEMBL710105	single protein format