Reaction Details  Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19484
Substrate
BDBM19480
Meas. Tech.
In Vitro Enzyme Assay
pH
6.1±n/a
Temperature
310.15±n/a K
Ki
15±5 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:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM19484
Synonyms:
1, 2, 3 -Triazole Nitrile Inhibitor, 11e | N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-1-(4-methylcyclohexyl)ethyl]thiophene-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C22H31N5OS
Mol. Mass.:
413.579
SMILES:
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccsc1)C1CC[C@H](C)CC1 |r,wU:12.13,25.27,wD:12.14,4.6,(2.85,-4.57,;1.52,-3.8,;1.52,-2.26,;.18,-1.49,;.18,.05,;1.52,.82,;2.85,1.59,;-1.15,.82,;-2.59,.29,;-3.55,1.49,;-2.7,2.78,;-1.22,2.36,;-5.09,1.49,;-6.42,.72,;-5.09,3.03,;-6.42,3.8,;-6.42,5.34,;-7.76,3.03,;-9,3.94,;-10.25,3.03,;-9.77,1.57,;-8.23,1.57,;-4.69,.01,;-5.66,-1.19,;-5.12,-2.63,;-3.6,-2.87,;-3.05,-4.31,;-2.62,-1.68,;-3.17,-.24,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19480
Synonyms:
Cbz-Leu-Arg-AMC | Fluorogenic substrate | Z-Leu-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: