Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19489
Substrate
BDBM19480
Meas. Tech.
Enzyme Inhibition Assay
IC50
0.2±n/a nM
Citation
 Gauthier, JY; Black, WC; Courchesne, I; Cromlish, W; Desmarais, S; Houle, R; Lamontagne, S; Li, CS; Massé, F; McKay, DJ; Ouellet, M; Robichaud, J; Truchon, JF; Truong, VL; Wang, Q; Percival, MD The identification of potent, selective, and bioavailable cathepsin S inhibitors. Bioorg Med Chem Lett 17:4929-33 (2007) [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:
BDBM19489
Synonyms:
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfon | (2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methanesulfonylphenyl)phenyl]ethyl]amino}pentanamide | CHEMBL437501 | L-873724
Type:
Small organic molecule
Emp. Form.:
C23H26F3N3O3S
Mol. Mass.:
481.531
SMILES:
CC(C)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)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: