3D structures mapped by conservation among orthologs

[ Domain: "Prealbumin-like" // CarboxypepD_reg ]

 PyMOL session

[ Domain: "Zn-dependent exopeptidases" // Peptidase_M14 ]

 PyMOL session

[ 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
CHEMBL236822		IC50	=	2.0	nM	205.28	N=C(N)NCCCC(CS)C(=O)O	Homo sapiens	CHEMBL885910	single protein format
CHEMBL245985		IC50	=	7.0	nM	273.75	N=C(N)Nc1ccc(Cl)c(C(CS)C(=O)O)c1	Homo sapiens	CHEMBL885910	single protein format
CHEMBL245787		IC50	=	8.0	nM	239.3	N=C(N)Nc1cccc(C(CS)C(=O)O)c1	Homo sapiens	CHEMBL885910	single protein format
CHEMBL245589		IC50	=	58.0	nM	231.32	N=C(N)N1CCCC(C(CS)C(=O)O)C1	Homo sapiens	CHEMBL885910	single protein format
CHEMBL246978		IC50	=	60.0	nM	189.28	O=C(O)C(CS)C1CCNCC1	Homo sapiens	CHEMBL885910	single protein format
CHEMBL391595		IC50	=	61.0	nM	203.31	O=C(O)C(CS)CC1CCNCC1	Homo sapiens	CHEMBL885910	single protein format
CHEMBL246595		IC50	=	357.0	nM	197.26	Nc1cccc(C(CS)C(=O)O)c1	Homo sapiens	CHEMBL885910	single protein format
CHEMBL395661		IC50	=	420.0	nM	203.31	O=C(O)C(CS)CC1CCCNC1	Homo sapiens	CHEMBL885910	single protein format
CHEMBL394951		IC50	=	1000.0	nM	224.28	N=C(N)c1ccc(C(CS)C(=O)O)cc1	Homo sapiens	CHEMBL885910	single protein format
CHEMBL236822		Ki	=	2.0	nM	205.28	N=C(N)NCCCC(CS)C(=O)O	Homo sapiens	CHEMBL901239	cell-free format