3D structures mapped by conservation among orthologs

[ Domain: "Galactose-binding domain-like" // KOG0496 ]

 PyMOL session

[ Domain: "Galactose-binding domain-like" // BetaGal_dom4_5_2 ]

 PyMOL session

[ Domain: "TIM barrels" // Glyco_hydro_42 ]

 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
CHEMBL4288931		IC50	=	0.4	nM	273.42	CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO	Homo sapiens	CHEMBL4276023	assay format
CHEMBL4284436		IC50	=	10.0	nM	251.33	OC[C@@H]1[C@H](O)[C@H](O)CN[C@@H]1CCc1ccccc1	Homo sapiens	CHEMBL4276023	assay format
CHEMBL1922581		IC50	=	125.0	nM	287.4	CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL3774077	single protein format
CHEMBL4085739		IC50	=	180.0	nM	217.31	CCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO	Homo sapiens	CHEMBL4007591	single protein format
CHEMBL3771185		IC50	=	210.0	nM	451.59	CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H]3NC[C@@H](O)[C@@H](O)[C@H]3CO)cccc12	Homo sapiens	CHEMBL3774077	single protein format
CHEMBL1818433		IC50	=	240.0	nM	147.17	OC[C@H]1CNC[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4007590	single protein format
CHEMBL4281031		IC50	=	250.0	nM	161.2	C[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO	Homo sapiens	CHEMBL4276023	assay format
CHEMBL4069909		Ki	=	290.0	nM	495.64	CN(C)c1cccc2c(S(=O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO)cccc12	Homo sapiens	CHEMBL4036535	single protein format
CHEMBL205982		Ki	=	300.0	nM	495.64	CN(C)c1cccc2c(S(=O)(=O)NCCCCCCN3C[C@H](O)[C@@H](O)[C@@H](O)[C@H]3CO)cccc12	Homo sapiens	CHEMBL1912895	single protein format
CHEMBL1922581		Ki	=	300.0	nM	287.4	CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O	Homo sapiens	CHEMBL2344842	single protein format
CHEMBL461161		Ki	=	700.0	nM	539.65	COC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(N(C)C)cccc12	Homo sapiens	CHEMBL1912895	single protein format