Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19479
Substrate
BDBM19485
Meas. Tech.
In Vitro Enzyme Assay
pH
6.1±n/a
Temperature
310.15±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:
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:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
Inhibitor
Name:
BDBM19479
Synonyms:
1, 2, 3 -Triazole Nitrile Inhibitor, 11a | N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]benzamide
Type:
Small organic molecule
Emp. Form.:
C20H27N5O
Mol. Mass.:
353.4613
SMILES:
CCCC[C@@H](C#N)n1cc(nn1)[C@@](C)(NC(=O)c1ccccc1)C(C)C |r|