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TargetCathepsin K
LigandBDBM50328879
Substrate/Competitorn/a
Meas. Tech.ChEMBL_673957
IC50<1±n/a nM
Citation Rankovic, ZCai, JKerr, JFradera, XRobinson, JMistry, AFinlay, WMcGarry, GAndrews, FCaulfield, WCumming, IDempster, MWaller, JArbuckle, WAnderson, MMartin, IMitchell, ALong, CBaugh, MWestwood, PKinghorn, EJones, PUitdehaag, JCvan Zeeland, MPotin, DSaniere, LFouquet, AChevallier, FDeronzier, HDorleans, CNicolai, E Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. Bioorg Med Chem Lett20:6237-41 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin K
Name:Cathepsin (H and K)
Synonyms:CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:Enzyme
Mol. Mass.:36975.68
Organism:Homo sapiens (human)
Description:Cathepsin K was expressed in yeast.
Residue:329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVD
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGG
YMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGE
NWGNKGYILMARNKNNACGIANLASFPKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50328879
NameBDBM50328879
Synonyms:CHEMBL1234898 | N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-(2-(dimethylamino)ethyl)-5-(trifluoromethyl)benzamide | N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide
TypeSmall organic molecule
Emp. Form.C27H28F3N5O
Mol. Mass.495.5393
SMILESCCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(=O)N(CCN(C)C)Cc1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a