3D structures mapped by conservation among orthologs

[ Domain: "Ribonuclease H-like" // Hexokinase_1 ]

 PyMOL session

[ Domain: "Ribonuclease H-like" // Hexokinase_2 ]

 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
CHEMBL3806069		IC50	=	7.9	nM	523.57	N#Cc1ccc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)c3cccc(-c4ccccc4)c3)[C@@H](O)[C@@H]2O)cc1	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3805148		IC50	=	16.0	nM	533.0	O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2ccccc2Cl)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3805398		IC50	=	20.0	nM	533.99	O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cnccc2Cl)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3805205		IC50	=	20.0	nM	549.35	Cc1oc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)c3cccc(Br)c3)[C@@H](O)[C@@H]2O)cc1C(=O)O	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3805734		IC50	=	25.0	nM	542.57	O=C(O)c1cccc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)c3cccc(-c4ccccc4)c3)[C@@H](O)[C@@H]2O)c1	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3805905		IC50	=	32.0	nM	567.45	O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3804930		IC50	=	40.0	nM	452.39	N#Cc1ccc(-c2cc(C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(C(F)(F)F)c2)cc1	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3805753		IC50	=	160.0	nM	498.56	O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3805598		IC50	=	160.0	nM	533.0	O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1	Homo sapiens	CHEMBL3807033	assay format
CHEMBL3805460		IC50	=	790.0	nM	359.38	O=C(N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1	Homo sapiens	CHEMBL3807033	assay format