3D structures mapped by conservation among orthologs

[ Domain: "DEATH domain" // CARD ]

 PyMOL session

[ Domain: "Caspase-like" // Peptidase_C14 ]

 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
CHEMBL23226		IC50	=	5.0	nM	382.39	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF	Homo sapiens	CHEMBL659720	single protein format
CHEMBL237310		IC50	=	6.0	nM	487.48	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC(C(=O)O)C(=O)CF	Homo sapiens	CHEMBL899140	single protein format
CHEMBL185356		IC50	=	9.0	nM	451.28	CC(C)[C@H](NC(=O)OCc1ccc(Cl)cc1Cl)C(=O)NC(CC(=O)O)C(=O)CF	Homo sapiens	CHEMBL827050	single protein format
CHEMBL180263		IC50	=	30.0	nM	368.36	CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(=O)O)C(=O)CF	Homo sapiens	CHEMBL827040	single protein format
CHEMBL90224		IC50	=	160.0	nM	413.47	CC(C)C[C@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O	Homo sapiens	CHEMBL659719	single protein format
CHEMBL90307		IC50	=	230.0	nM	427.46	CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O	Homo sapiens	CHEMBL659719	single protein format