Reaction Details Report a problem with these data
Target
Procathepsin L
Ligand
BDBM19828
Substrate
n/a
Meas. Tech.
ChEMBL_821153 (CHEMBL2039695)
IC50
3600±n/a nM
Citation
 Stumpfe, D; Bajorath, J Exploring activity cliffs in medicinal chemistry. J Med Chem 55:2932-42 (2012) [PubMed]  Article 
Target
Name:
Procathepsin L
Synonyms:
CATL1_HUMAN | CTSL | CTSL CTSL1 | CTSL1 | Cathepsin L | Cathepsin L1 | Cathepsin L1 heavy chain | Cathepsin L1 light chain | MEP | Major excreted protein | cathepsin L preproprotein
Type:
Enzyme
Mol. Mass.:
37557.19
Organism:
Homo sapiens (Human)
Description:
Purchased from Calbiochem (San Diego, CA).
Residue:
333
Sequence:
MNPTLILAAFCLGIASATLTFDHSLEAQWTKWKAMHNRLYGMNEEGWRRAVWEKNMKMIELHNQEYREGKHSFTMAMNAFGDMTSEEFRQVMNGFQNRKPRKGKVFQEPLFYEAPRSVDWREKGYVTPVKNQGQCGSCWAFSATGALEGQMFRKTGRLISLSEQNLVDCSGPQGNEGCNGGLMDYAFQYVQDNGGLDSEESYPYEATEESCKYNPKYSVANDTGFVDIPKQEKALMKAVATVGPISVAIDAGHESFLFYKEGIYFEPDCSSEDMDHGVLVVGYGFESTESDNNKYWLVKNSWGEEWGMGGYVKMAKDRRNHCGIASAASYPTV
  
Inhibitor
Name:
BDBM19828
Synonyms:
(1R,2R)-2-{[(3-chlorophenyl)sulfanyl]methyl}-N-(cyanomethyl)cyclohexane-1-carboxamide | Cyclohexanecarboxamide derivative, 12l | racemic mixture
Type:
Small organic molecule
Emp. Form.:
C16H19ClN2OS
Mol. Mass.:
322.853
SMILES:
Clc1cccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)c1 |r|
Structure:
Search PDB for entries with ligand similarity: