Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50119066
Substrate
n/a
Meas. Tech.
ChEBML_48675
Ki
451±n/a nM
Citation
 Mendonca, RV; Venkatraman, S; Palmer, JT Novel route to the synthesis of peptides containing 2-amino-1'-hydroxymethyl ketones and their application as cathepsin K inhibitors. Bioorg Med Chem Lett 12:2887-91 (2002) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM50119066
Synonyms:
CHEMBL100428 | [(S)-1-((S)-3-Benzyloxy-2-oxo-1-phenethyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C32H38N2O5
Mol. Mass.:
530.6545
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)COCc1ccccc1
Structure:
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