3D structures mapped by conservation among orthologs

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 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
CHEMBL2063869		Ki	=	14.0	nM	498.65	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL2066545	single protein format
CHEMBL2063868		Ki	=	16.0	nM	492.61	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)c1ccccc1	Homo sapiens	CHEMBL2066545	single protein format
CHEMBL2063862		Ki	=	30.0	nM	478.64	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C(C)C	Homo sapiens	CHEMBL2066545	single protein format
CHEMBL2063863		Ki	=	30.0	nM	536.74	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL2066545	single protein format
CHEMBL2063866		Ki	=	70.0	nM	518.7	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1)C1CCCCC1	Homo sapiens	CHEMBL2066545	single protein format
CHEMBL2063865		Ki	=	80.0	nM	538.69	CC(C)[C@H](NC(=O)[C@H](C)NC[C@H](O)CO)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1	Homo sapiens	CHEMBL2066545	single protein format
CHEMBL2063867		Ki	=	90.0	nM	463.02	CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1)C1CCCCC1	Homo sapiens	CHEMBL2066545	single protein format
CHEMBL2063864		Ki	=	460.0	nM	518.7	CC(C)[C@H](NC(=O)[C@H](C)NCC1CC1)C(=O)N1CCC[C@H]1C(=O)NCC(c1ccccc1)c1ccccc1	Homo sapiens	CHEMBL2066545	single protein format