Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19518
Substrate
BDBM19480
Meas. Tech.
Enzyme Inhibition Assay
IC50
<0.005±n/a nM
Citation
 Li, CS; Deschenes, D; Desmarais, S; Falgueyret, JP; Gauthier, JY; Kimmel, DB; Léger, S; Massé, F; McGrath, ME; McKay, DJ; Percival, MD; Riendeau, D; Rodan, SB; Thérien, M; Truong, VL; Wesolowski, G; Zamboni, R; Black, WC Identification of a potent and selective non-basic cathepsin K inhibitor. Bioorg Med Chem Lett 16:1985-9 (2006) [PubMed]  Article 
Target
Name:
Cathepsin K
Synonyms:
CATK_RABIT | CTSK
Type:
Enzyme
Mol. Mass.:
36879.51
Organism:
Oryctolagus cuniculus (rabbit)
Description:
n/a
Residue:
329
Sequence:
MWGLKVLLLPVVSFALHPEEILDTQWELWKKTYSKQYNSKVDEISRRLIWEKNLKHISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPPSRSHSNDTLYIPDWEGRTPDSIDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENYGCGGGYMTNAFQYVQRNRGIDSEDAYPYVGQDESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDENCSSDNVNHAVLAVGYGIQKGNKHWIIKNSWGESWGNKGYILMARNKNNACGIANLASFPKM
  
Inhibitor
Name:
BDBM19518
Synonyms:
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(piperazin-1-yl)phenyl]phenyl}ethyl]amino}pentanamide | CHEMBL195454 | trifluoroethylamine analogue, 1
Type:
Small organic molecule
Emp. Form.:
C26H32F3N5O
Mol. Mass.:
487.5604
SMILES:
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)N1CCNCC1)C(F)(F)F)C(=O)NCC#N |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19480
Synonyms:
Cbz-Leu-Arg-AMC | Fluorogenic substrate | Z-Leu-Arg-AMC
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: