Reaction Details Report a problem with these data
Target
Pepsin A
Ligand
BDBM50141612
Substrate
n/a
Meas. Tech.
ChEBML_154164
Ki
3±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:
BDBM50141612
Synonyms:
(S)-4-[(S)-2-(2-Amino-2-methyl-butyrylamino)-3-methyl-butyrylamino]-3-hydroxy-6-(S)-methyl-heptanoic acid {2-[3-((S)-acetyl)-indol-1-yl]-1-methyl-2-oxo-ethyl}-amide | CHEMBL171865
Type:
Small organic molecule
Emp. Form.:
C31H47N5O6
Mol. Mass.:
585.7348
SMILES:
CCC(C)(N)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)n1cc(C(C)=O)c2ccccc12
Structure:
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