Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50119062
Substrate
n/a
Meas. Tech.
ChEBML_45561
Ki
4±n/a nM
Citation
 Mendonca, RV; Venkatraman, S; Palmer, JT Novel route to the synthesis of peptides containing 2-amino-1'-hydroxymethyl ketones and their application as cathepsin K inhibitors. Bioorg Med Chem Lett 12:2887-91 (2002) [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:
BDBM50119062
Synonyms:
3-Aminomethyl-N-[(S)-1-((S)-3-hydroxy-2-oxo-1-phenethyl-propylcarbamoyl)-2-methyl-butyl]-benzamide | CHEMBL98540
Type:
Small organic molecule
Emp. Form.:
C25H33N3O4
Mol. Mass.:
439.5472
SMILES:
CCC(C)[C@H](NC(=O)c1cccc(CN)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO
Structure:
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