Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM19786
Substrate
BDBM19490
Meas. Tech.
Enzyme Inhibition Assay
IC50
35±n/a nM
Citation
 Barrett, DG; Catalano, JG; Deaton, DN; Long, ST; McFadyen, RB; Miller, AB; Miller, LR; Samano, V; Tavares, FX; Wells-Knecht, KJ; Wright, LL; Zhou, HQ Acyclic, orally bioavailable ketone-based cathepsin K inhibitors. Bioorg Med Chem Lett 17:22-7 (2007) [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:
BDBM19786
Synonyms:
(2S)-3,3-dimethyl-1-{3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-1-yl}butan-2-yl N-[(3S)-2-oxo-1-(pyridine-2-sulfonamido)heptan-3-yl]carbamate | ketone analog, 3c
Type:
Small organic molecule
Emp. Form.:
C29H36F3N5O5S
Mol. Mass.:
623.687
SMILES:
CCCC[C@H](NC(=O)O[C@H](Cn1ccc(n1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 |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: