Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin K
LigandBDBM19492
Substrate/CompetitorBDBM19480
Meas. Tech.Enzyme Inhibition Assay
IC50 31±n/a nM
Citation Gauthier, JYBlack, WCCourchesne, ICromlish, WDesmarais, SHoule, RLamontagne, SLi, CSMassé, FMcKay, DJOuellet, MRobichaud, JTruchon, JFTruong, VLWang, QPercival, MD The identification of potent, selective, and bioavailable cathepsin S inhibitors. Bioorg Med Chem Lett17:4929-33 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Cathepsin K
Name:Cathepsin K
Synonyms:CATK_RABIT | CTSK
Type:Enzyme
Mol. Mass.:36879.51
Organism:Oryctolagus cuniculus (rabbit)
Description:n/a
Residue:329
Sequence:
MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSID
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGG
YMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGE
SWGNKGYILMARNKNNACGIANLASFPKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM19492
BDBM19480
NameBDBM19492
Synonyms:(2R)-2-{[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino}-N-(1-cyanocyclopropyl)-3-methanesulfonylpropanamide | CHEMBL400387 | trifluoroethylamine inhibitor, 2
TypeSmall organic molecule
Emp. Form.C16H17BrF3N3O3S
Mol. Mass.468.289
SMILESCS(=O)(=O)C[C@H](N[C@@H](c1ccc(Br)cc1)C(F)(F)F)C(=O)NC1(CC1)C#N |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: