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
CHEMBL177210		IC50	=	500.0	nM	305.29	NNC(CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)C(=O)O	Homo sapiens	CHEMBL665111	single protein format
CHEMBL176303		IC50	=	800.0	nM	362.34	CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCC(NN)C(=O)O)C(=O)O	Homo sapiens	CHEMBL665111	single protein format
CHEMBL177210		Ki	=	22.0	nM	305.29	NNC(CCC[C@H](NC(=O)CCC(=O)O)C(=O)O)C(=O)O	Homo sapiens	CHEMBL665115	single protein format
CHEMBL176303		Ki	=	169.0	nM	362.34	CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCC(NN)C(=O)O)C(=O)O	Homo sapiens	CHEMBL665115	single protein format
CHEMBL172381		Ki	=	556.0	nM	394.43	CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC(NN)C(=O)O)C(=O)O	Homo sapiens	CHEMBL665115	single protein format