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TargetCathepsin S
LigandBDBM50323087
Substrate/Competitorn/a
Meas. Tech.ChEMBL_643705
IC50>10000±n/a nM
Citation Cai, JBennett, DJRankovic, ZDempster, MFradera, XGillespie, JCumming, IFinlay, WBaugh, MBoucharens, SBruin, JCameron, KSHamilton, WKerr, JKinghorn, EMcGarry, GRobinson, JScullion, PUitdehaag, JCvan Zeeland, MPotin, DSaniere, LFouquet, AChevallier, FDeronzier, HDorleans, CNicolai, E 2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors. Bioorg Med Chem Lett20:4447-50 (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:
BDBM50323087
NameBDBM50323087
Synonyms:2-(4-ethoxy-3-(trifluoromethyl)phenyl)-9H-purine-6-carbonitrile | CHEMBL1209531
TypeSmall organic molecule
Emp. Form.C15H10F3N5O
Mol. Mass.333.268
SMILESCCOc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a