Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50121902
Substrate
n/a
Meas. Tech.
ChEBML_48668
IC50
48±n/a nM
Citation
 Zhou, NE; Guo, D; Thomas, G; Reddy, AV; Kaleta, J; Purisima, E; Menard, R; Micetich, RG; Singh, R 3-Acylamino-azetidin-2-one as a novel class of cysteine proteases inhibitors. Bioorg Med Chem Lett 13:139-41 (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:
BDBM50121902
Synonyms:
CHEMBL287630 | [(S)-1-((2S,3R)-2-Benzenesulfonyl-4-oxo-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C26H25N3O6S
Mol. Mass.:
507.558
SMILES:
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)S(=O)(=O)c1ccccc1)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: