Reaction Details  Report a problem with these data
Target
Pepsin A
Ligand
BDBM50108796
Substrate
n/a
Meas. Tech.
ChEMBL_153988 (CHEMBL762339)
IC50
200±n/a nM
Citation
 Bursavich, MG; Rich, DH Designing non-peptide peptidomimetics in the 21st century: inhibitors targeting conformational ensembles. J Med Chem 45:541-58 (2002) [PubMed]
Target
Name:
Pepsin A
Synonyms:
PEPA_PIG | PGA | Pepsin | Pepsin A precursor
Type:
Enzyme
Mol. Mass.:
41232.87
Organism:
Porcine
Description:
n/a
Residue:
385
Sequence:
MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA
  
Inhibitor
Name:
BDBM50108796
Synonyms:
2-{4-[3-(4-Bromo-benzyloxy)-piperidin-4-yl]-phenoxy}-1-naphthalen-2-yl-ethanone | CHEMBL152902
Type:
Small organic molecule
Emp. Form.:
C30H28BrNO3
Mol. Mass.:
530.452
SMILES:
Brc1ccc(CO[C@H]2CNCC[C@@H]2c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: