Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM33996
Substrate
Cathepsin S Substrate Peptide
Meas. Tech.
Cathepsn S Inhibition Assay
pH
5±n/a
Temperature
296.15±n/a K
IC50
310±n/a nM
Citation
 Ameriks, MK; Axe, FU; Bembenek, SD; Edwards, JP; Gu, Y; Karlsson, L; Randal, M; Sun, S; Thurmond, RL; Zhu, J Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements. Bioorg Med Chem Lett 19:6131-4 (2009) [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:
BDBM33996
Synonyms:
arylalkyne pyrazole-based compound, 30
Type:
Small organic molecule
Emp. Form.:
C32H34Cl2N4O3
Mol. Mass.:
593.543
SMILES:
Clc1ccc(cc1)C#Cc1cc(ccc1Cl)-c1nn(CCCN2CCOCC2)c2CCN(Cc12)C(=O)C1CCCO1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Cathepsin S Substrate Peptide
Synonyms:
n/a
Type:
Internally quenched FRET peptide
Mol. Mass.:
2951.18
Organism:
n/a
Description:
n/a
Residue:
27
Sequence:
AEDENSEKARVLAEAADACYLKAMIDE