Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19479
Substrate
BDBM19485
Meas. Tech.
In Vitro Enzyme Assay
pH
6.1000±n/a
Temperature
310.1500±n/a K
Ki
880±70 nM
Citation
 Patterson, AW; Wood, WJ; Hornsby, M; Lesley, S; Spraggon, G; Ellman, JA Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method. J Med Chem 49:6298-307 (2006) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
Cathepsin O | Cathepsin O2 | Cathepsin X | CTSO | CTSO2 | CATK_HUMAN | CTSK
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Human
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM19479
Synonyms:
N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]benzamide | 1, 2, 3 -Triazole Nitrile Inhibitor, 11a
Type:
Small organic molecule
Emp. Form.:
C20H27N5O
Mol. Mass.:
353.22
SMILES:
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19485
Synonyms:
Fluorogenic substrate | Z-Phe-Arg-AMC.HCl | Cbz-Phe-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: