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TargetCathepsin S
LigandBDBM50331565
Substrate/Competitorn/a
Meas. Tech.ChEMBL_687416
IC50 692±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: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:
BDBM50331565
NameBDBM50331565
Synonyms:2-methoxy-N-(1-oxobutan-2-yl)-3-(trifluoromethyl)benzamide | CHEMBL1289074
TypeSmall organic molecule
Emp. Form.C13H14F3NO3
Mol. Mass.289.2504
SMILESCCC(NC(=O)c1cccc(c1OC)C(F)(F)F)C=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a