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TargetCathepsin S
LigandBDBM50331571
Substrate/Competitorn/a
Meas. Tech.ChEMBL_687416 (CHEMBL1292092)
IC50 11±n/a nM
Citation Cai, JRobinson, JBelshaw, SEverett, KFradera, Xvan Zeeland, Mvan Berkom, Lvan Rijnsbergen, PPopplestone, LBaugh, MDempster, MBruin, JHamilton, WKinghorn, EWestwood, PKerr, JRankovic, ZArbuckle, WBennett, DJJones, PSLong, CMartin, IUitdehaag, JCMeulemans, T Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. Bioorg Med Chem Lett20:6890-4 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin S
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:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50331571
n/a
NameBDBM50331571
Synonyms:CHEMBL1289422 | N-(4-amino-3,4-dioxobutan-2-yl)-2-chloro-4-ethoxy-3-(trifluoromethyl)benzamide
TypeSmall organic molecule
Emp. Form.C14H14ClF3N2O4
Mol. Mass.366.72
SMILESCCOc1ccc(C(=O)NC(C)C(=O)C(N)=O)c(Cl)c1C(F)(F)F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: