Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19522
Substrate
BDBM19490
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
Temperature
295.15±n/a K
IC50
54±n/a nM
Citation
 Li, CS; Deschenes, D; Desmarais, S; Falgueyret, JP; Gauthier, JY; Kimmel, DB; Léger, S; Massé, F; McGrath, ME; McKay, DJ; Percival, MD; Riendeau, D; Rodan, SB; Thérien, M; Truong, VL; Wesolowski, G; Zamboni, R; Black, WC Identification of a potent and selective non-basic cathepsin K inhibitor. Bioorg Med Chem Lett 16:1985-9 (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:
BDBM19522
Synonyms:
(2S)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide | trifluoroethylamine analogue, 11
Type:
Small organic molecule
Emp. Form.:
C16H19BrF3N3O
Mol. Mass.:
406.241
SMILES:
CC(C)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NCC#N |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19490
Synonyms:
Cbz-Val-Val-Arg-AMC | Fluorogenic substrate | Z-Val-Val-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: