Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19479
Substrate
BDBM19480
Meas. Tech.
In Vitro Enzyme Assay
pH
6.1000±n/a
Temperature
310.1500±n/a K
Ki
1200±200 nM
Citation
 Patterson, AW; Wood, WJ; Hornsby, M; Lesley, S; Spraggon, G; Ellman, JA Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. J Med Chem 49:6298-307 (2006) [PubMed]  Article 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Human
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM19479
Synonyms:
N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]benzamide | 1, 2, 3 -Triazole Nitrile Inhibitor, 11a
Type:
Small organic molecule
Emp. Form.:
C20H27N5O
Mol. Mass.:
353.22
SMILES:
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19480
Synonyms:
Fluorogenic substrate | Z-Leu-Arg-AMC | Cbz-Leu-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: