Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin S
LigandBDBM50331575
Substrate/Competitorn/a
Meas. Tech.ChEMBL_687416
IC50 1.9±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:
BDBM50331575
NameBDBM50331575
Synonyms:2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-dioxoheptan-3-yl)-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide | CHEMBL1289750
TypeSmall organic molecule
Emp. Form.C25H25ClF3N5O4
Mol. Mass.551.945
SMILESCCCCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a