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
CHEMBL429950		IC50	=	180.0	nM	236.27	C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	Homo sapiens	CHEMBL699706	cell-based format
CHEMBL417979		IC50	=	200.0	nM	222.24	N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O	Homo sapiens	CHEMBL699706	cell-based format
CHEMBL10650		IC50	=	400.0	nM	221.26	N[C@@H](Cc1ccccc1)C(=O)CCC(=O)O	Homo sapiens	CHEMBL699706	cell-based format
CHEMBL429950		Ki	=	180.0	nM	236.27	C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O	Homo sapiens	CHEMBL699707	cell-based format
CHEMBL417979		Ki	=	200.0	nM	222.24	N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O	Homo sapiens	CHEMBL699707	cell-based format
CHEMBL10650		Ki	=	400.0	nM	221.26	N[C@@H](Cc1ccccc1)C(=O)CCC(=O)O	Homo sapiens	CHEMBL699707	cell-based format