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Target
Cathepsin K
Ligand
BDBM50066650
Substrate
n/a
Meas. Tech.
ChEMBL_48328 (CHEMBL663317)
Ki
22±n/a nM
Citation
 LaLonde, JM; Zhao, B; Smith, WW; Janson, CA; DesJarlais, RL; Tomaszek, TA; Carr, TJ; Thompson, SK; Oh, HJ; Yamashita, DS; Veber, DF; Abdel-Meguid, SS Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J Med Chem 41:4567-76 (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:
BDBM50066650
Synonyms:
1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE | CHEMBL281540 | {(S)-1-[3-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester | {1-[3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C31H42N4O7
Mol. Mass.:
582.6878
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Structure:
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