Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM19808
Substrate
BDBM19485
Meas. Tech.
In Vitro Enzyme Inhibition Assay
pH
5.5±n/a
Temperature
295.15±n/a K
Ki
0.6±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
More Info.:
Target
Name:
Cathepsin K
Synonyms:
CATK_HUMAN | CTSK | CTSO | CTSO2 | Cathepsin O | Cathepsin O2 | Cathepsin X
Type:
Enzyme
Mol. Mass.:
36975.68
Organism:
Human
Description:
P43235
Residue:
329
Sequence:
MWGLKVLLLPVVSFALYPEEILDTHWELWKKTHRKQYNNKVDEISRRLIWEKNLKYISIHNLEASLGVHTYELAMNHLGDMTSEEVVQKMTGLKVPLSHSRSNDTLYIPEWEGRAPDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM
Inhibitor
Name:
BDBM19808
Synonyms:
benzyl N-[(1S)-1-({1-[(2S)-2-{[(benzyloxy)carbonyl](methyl)amino}-4-methylpentanoyl]-4-oxopyrrolidin-3-yl}carbamoyl)-3-methylbutyl]carbamate | pyrrolidinone analogue, 25
Type:
Small organic molecule
Emp. Form.:
C33H44N4O7
Mol. Mass.:
608.7251
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1 |r|