Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin K
LigandBDBM50173404
Substrate/Competitorn/a
Meas. Tech.ChEMBL_321362 (CHEMBL881506)
IC50 2.4±n/a nM
Citation Black, WCBayly, CIDavis, DEDesmarais, SFalgueyret, JPLéger, SLi, CSMassé, FMcKay, DJPalmer, JTPercival, MDRobichaud, JTsou, NZamboni, R Trifluoroethylamines as amide isosteres in inhibitors of cathepsin K. Bioorg Med Chem Lett15:4741-4 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin K
Name:Cathepsin K
Synonyms:CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:Enzyme
Mol. Mass.:36975.68
Organism:Homo sapiens (Human)
Description:P43235
Residue:329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIH
NLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVD
YRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGG
YMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVA
RVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGE
NWGNKGYILMARNKNNACGIANLASFPKM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50173404
n/a
NameBDBM50173404
Synonyms:(S)-2-[1-(4-Bromo-phenyl)-2,2,3,3,3-pentafluoro-propylamino]-4-methyl-pentanoic acid cyanomethyl-amide | CHEMBL372046
TypeSmall organic molecule
Emp. Form.C17H19BrF5N3O
Mol. Mass.456.248
SMILESCC(C)C[C@H](NC(c1ccc(Br)cc1)C(F)(F)C(F)(F)F)C(=O)NCC#N
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: