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Target
Cathepsin K
Ligand
BDBM50066647
Substrate
n/a
Meas. Tech.
ChEMBL_48326 (CHEMBL663316)
Ki
0.5±n/a nM
Citation
 Marquis, RW; Yamashita, DS; Ru, Y; LoCastro, SM; Oh, HJ; Erhard, KF; DesJarlais, RL; Head, MS; Smith, WW; Zhao, B; Janson, CA; Abdel-Meguid, SS; Tomaszek, TA; Levy, MA; Veber, DF Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K. J Med Chem 41:3563-7 (1998) [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:
BDBM50066647
Synonyms:
CHEMBL113724 | {(S)-3-Methyl-1-[3-oxo-1-(4-phenoxy-benzenesulfonyl)-piperidin-4-ylcarbamoyl]-butyl}-carbamic acid benzyl ester | {3-Methyl-1-[3-oxo-1-(4-phenoxy-benzenesulfonyl)-piperidin-4-ylcarbamoyl]-butyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C31H35N3O7S
Mol. Mass.:
593.69
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Structure:
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