Reaction Details Report a problem with these data
Target
Pepsin A
Ligand
BDBM50022864
Substrate
n/a
Meas. Tech.
ChEBML_153986
IC50
>10000±n/a nM
Citation
Sham, HL; Bolis, G; Stein, HH; Fesik, SW; Marcotte, PA; Plattner, JJ; Rempel, CA; Greer, J Renin inhibitors. Design and synthesis of a new class of conformationally restricted analogues of angiotensinogen. J Med Chem 31:284-95 (1988) [PubMed] Article
More Info.:
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:
BDBM50022864
Synonyms:
Boc-Phe-(CH3)Ala-Leu-Val-Ile-His-OMe | CHEMBL318242
Type:
Small organic molecule
Emp. Form.:
C42H66N8O9
Mol. Mass.:
827.0216
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC