Reaction Details Report a problem with these data
Target
Cathepsin K
Ligand
BDBM50154177
Substrate
n/a
Meas. Tech.
ChEMBL_304939 (CHEMBL826968)
IC50
61±n/a nM
Citation
 Tavares, FX; Deaton, DN; Miller, LR; Wright, LL Ketoamide-based inhibitors of cysteine protease, cathepsin K: P3 modifications. J Med Chem 47:5057-68 (2004) [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:
BDBM50154177
Synonyms:
CHEMBL184370 | [1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-(1-methyl-1H-imidazol-2-ylsulfanylmethyl)-cyclobutylmethyl ester
Type:
Small organic molecule
Emp. Form.:
C26H36N4O4S
Mol. Mass.:
500.653
SMILES:
CCCC[C@H](NC(=O)OCC1(CSc2nccn2C)CCC1)C(=O)C(=O)N[C@H](C)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: