Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50335284
Substrate
n/a
Meas. Tech.
ChEMBL_702784 (CHEMBL1655227)
Ki
0.045±n/a nM
Citation
 Frizler, M; Lohr, F; Furtmann, N; Kläs, J; Gütschow, M Structural optimization of azadipeptide nitriles strongly increases association rates and allows the development of selective cathepsin inhibitors. J Med Chem 54:396-400 (2011) [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:
BDBM50335284
Synonyms:
CHEMBL1651349 | N-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)phenylcarbamoyl]-leucyl-methylazaalanine-nitrile
Type:
Small organic molecule
Emp. Form.:
C19H25N7O3
Mol. Mass.:
399.4469
SMILES:
CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(C)n1)C(=O)N(C)N(C)C#N |r|
Structure:
Search PDB for entries with ligand similarity: