3D structures mapped by conservation among orthologs

[ Domain: "Serpins" // Serpin ]

 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
CHEMBL297425		IC50	=	3.5	nM	583.67	CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[Na+]	Homo sapiens	CHEMBL5264020	single protein format
CHEMBL295174		IC50	=	27.0	nM	583.67	CCCCc1nc2ccc([C@@]3(C)C[C@@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1.[Na+]	Homo sapiens	CHEMBL5264020	single protein format