Reaction Details Report a problem with these data
Target
Pepsin A
Ligand
BDBM50040393
Substrate
n/a
Meas. Tech.
ChEMBL_153985 (CHEMBL762336)
IC50
>10000±n/a nM
Citation
 Raddatz, P; Minck, KO; Rippmann, F; Schmitges, CJ Non-peptide renin inhibitors containing 2-(((3-phenylpropyl)phosphoryl)oxy)alkanoic acid moieties as P2-P3 replacements. J Med Chem 37:486-97 (1994) [PubMed]  Article 
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:
BDBM50040393
Synonyms:
(3-Phenyl-propyl)-phosphonic acid (R)-1-((1S,2R,3S)-1-cyclohexylmethyl-3-cyclopropyl-2,3-dihydroxy-propylcarbamoyl)-butyl ester ethyl ester | CHEMBL144812
Type:
Small organic molecule
Emp. Form.:
C29H48NO6P
Mol. Mass.:
537.6683
SMILES:
CCC[C@@H](OP(=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
Structure:
Search PDB for entries with ligand similarity: