Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19813
Substrate
BDBM19485
Meas. Tech.
In Vitro Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
Ki
1.6±n/a nM
Citation
 Marquis, RW; Ru, Y; Zeng, J; Trout, RE; LoCastro, SM; Gribble, AD; Witherington, J; Fenwick, AE; Garnier, B; Tomaszek, T; Tew, D; Hemling, ME; Quinn, CJ; Smith, WW; Zhao, B; McQueney, MS; Janson, CA; D'Alessio, K; Veber, DF Cyclic ketone inhibitors of the cysteine protease cathepsin K. J Med Chem 44:725-36 (2001) [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:
BDBM19813
Synonyms:
benzyl N-[(2S)-4-methyl-1-{3-[(2S)-4-methyl-2-(quinolin-7-ylformamido)pentanamido]-4-oxopyrrolidin-1-yl}pentan-2-yl]carbamate | pyrrolidinone analogue, 33
Type:
Small organic molecule
Emp. Form.:
C34H43N5O5
Mol. Mass.:
601.7357
SMILES:
CC(C)C[C@@H](CN1CC(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc3cccnc3c2)C(=O)C1)NC(=O)OCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19485
Synonyms:
Cbz-Phe-Arg-AMC | Fluorogenic substrate | Z-Phe-Arg-AMC.HCl
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
n/a
Structure: