Reaction Details Report a problem with these data
Target
Pepsin A
Ligand
BDBM50141614
Substrate
n/a
Meas. Tech.
ChEBML_154164
Ki
0.046000±n/a nM
Citation
 Schaschke, N Miraziridine A: natures blueprint towards protease class-spanning inhibitors. Bioorg Med Chem Lett 14:855-7 (2004) [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:
BDBM50141614
Synonyms:
(1S,2S,5S)-3-Hydroxy-4-[2-((S)-hydroxy-6-(S)-4-{(S)-2-[(S)-2-(2-amino-2-methyl-butyrylamino)-3-methyl-butyrylamino]-3-methyl-butyrylamino}-3-methyl-heptanoylamino)-propionylamino]-6-methyl-heptanoic acid | CHEMBL169533
Type:
Small organic molecule
Emp. Form.:
C34H64N6O9
Mol. Mass.:
700.9068
SMILES:
CCC(C)(N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(O)=O
Structure:
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