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TargetCathepsin S
LigandBDBM50313476
Substrate/Competitorn/a
Meas. Tech.ChEMBL_617378
IC50 23±n/a nM
Citation Rankovic, ZCai, JKerr, JFradera, XRobinson, JMistry, AHamilton, EMcGarry, GAndrews, FCaulfield, WCumming, IDempster, MWaller, JScullion, PMartin, IMitchell, ALong, CBaugh, MWestwood, PKinghorn, EBruin, JHamilton, WUitdehaag, Jvan Zeeland, MPotin, DSaniere, LFouquet, AChevallier, FDeronzier, HDorleans, CNicolai, E Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors. Bioorg Med Chem Lett20:1524-7 (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:
BDBM50313476
NameBDBM50313476
Synonyms:4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile | 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile | CHEMBL1084400
TypeSmall organic molecule
Emp. Form.C20H21F3N4
Mol. Mass.374.4027
SMILESFC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a