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Target
Pepsin A
Ligand
BDBM17942
Substrate
Hemoglobin
Meas. Tech.
In Vitro Pepsin Inhibition Assay
pH
2±n/a
Temperature
310.15±n/a K
IC50
>100000±n/a nM
Citation
 Rahuel, J; Rasetti, V; Maibaum, J; Rüeger, H; Göschke, R; Cohen, NC; Stutz, S; Cumin, F; Fuhrer, W; Wood, JM; Grütter, MG Structure-based drug design: the discovery of novel nonpeptide orally active inhibitors of human renin. Chem Biol 7:493-504 (2000) [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:
BDBM17942
Synonyms:
(2R,4S,5S)-5-amino-N-butyl-4-hydroxy-2,7,7-trimethyl-9-oxo-9-(1,2,3,4-tetrahydroquinolin-1-yl)nonanamide | Renin nonpeptide inhibitor, 2
Type:
Small organic molecule
Emp. Form.:
C25H41N3O3
Mol. Mass.:
431.6113
SMILES:
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CC(=O)N1CCCc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Hemoglobin
Synonyms:
Alpha-globin | HBA | HBA_PIG | Hemoglobin alpha chain | Hemoglobin subunit alpha
Type:
Other Protein Type
Mol. Mass.:
15046.50
Organism:
Porcine
Description:
n/a
Residue:
141
Sequence:
VLSAADKANVKAAWGKVGGQAGAHGAEALERMFLGFPTTKTYFPHFNLSHGSDQVKAHGQKVADALTKAVGHLDDLPGALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHHPDDFNPSVHASLDKFLANVSTVLTSKYR