3D structures mapped by conservation among orthologs

[ 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
CHEMBL596543		IC50	=	1.83	nM	299.28	CC(=O)N[C@H]1c2nc(CC(=O)O)cn2[C@H](CO)[C@H](O)[C@@H]1O	Homo sapiens	CHEMBL1041612	assay format
CHEMBL593689		IC50	=	2.39	nM	260.29	CC(=O)NC[C@H]1[C@H](O)[C@H](O)[C@@H]2[C@H](O)C[C@@H](CO)N21	Homo sapiens	CHEMBL1041612	assay format
CHEMBL596543		Ki	=	0.925	nM	299.28	CC(=O)N[C@H]1c2nc(CC(=O)O)cn2[C@H](CO)[C@H](O)[C@@H]1O	Homo sapiens	CHEMBL1041623	assay format
CHEMBL593689		Ki	=	1.25	nM	260.29	CC(=O)NC[C@H]1[C@H](O)[C@H](O)[C@@H]2[C@H](O)C[C@@H](CO)N21	Homo sapiens	CHEMBL1041618	assay format