Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM50331571
Substrate
n/a
Meas. Tech.
ChEMBL_687416 (CHEMBL1292092)
IC50
11±n/a nM
Citation
 Cai, J; Robinson, J; Belshaw, S; Everett, K; Fradera, X; van Zeeland, M; van Berkom, L; van Rijnsbergen, P; Popplestone, L; Baugh, M; Dempster, M; Bruin, J; Hamilton, W; Kinghorn, E; Westwood, P; Kerr, J; Rankovic, Z; Arbuckle, W; Bennett, DJ; Jones, PS; Long, C; Martin, I; Uitdehaag, JC; Meulemans, T Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg Med Chem Lett 20:6890-4 (2010) [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:
BDBM50331571
Synonyms:
CHEMBL1289422 | N-(4-amino-3,4-dioxobutan-2-yl)-2-chloro-4-ethoxy-3-(trifluoromethyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C14H14ClF3N2O4
Mol. Mass.:
366.72
SMILES:
CCOc1ccc(C(=O)NC(C)C(=O)C(N)=O)c(Cl)c1C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: