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TargetCathepsin S
LigandBDBM50322918
Substrate/Competitorn/a
Meas. Tech.ChEMBL_643443
IC50 4.5±n/a nM
Citation Cai, JFradera, Xvan Zeeland, MDempster, MCameron, KSBennett, DJRobinson, JPopplestone, LBaugh, MWestwood, PBruin, JHamilton, WKinghorn, ELong, CUitdehaag, JC 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. Bioorg Med Chem Lett20:4507-10 (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:
BDBM50322918
NameBDBM50322918
Synonyms:4-(4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile | CHEMBL1210690
TypeSmall organic molecule
Emp. Form.C15H12F3N3O2
Mol. Mass.323.2699
SMILESOCCCOc1ccc(cc1C(F)(F)F)-c1ccnc(n1)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a