Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19516
Substrate
BDBM19480
Meas. Tech.
Enzyme Inhibition Assay
IC50
6.2±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:
BDBM19516
Synonyms:
(2S)-N-[(3S,5E)-6-(benzenesulfonyl)-4-oxo-1-phenylhex-5-en-3-yl]-4-methyl-2-(morpholin-4-ylcarbonylamino)pentanamide | CHEMBL222649 | LHVS | Morpholinurea-Leu-Hph-Vinyl-Sulfone-Phenyl | Morpholinurea-Leucine-Homophenylalaninevinyl Phenyl Sulfone
Type:
Small organic molecule
Emp. Form.:
C28H37N3O5S
Mol. Mass.:
527.675
SMILES:
CC(C)C[C@@H](NC(=O)N1CCOCC1)C(=O)N[C@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:27.29|
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: