Reaction Details Report a problem with these data
Target
Pepsin A
Ligand
BDBM50010416
Substrate
n/a
Meas. Tech.
ChEBML_153980
IC50
4200±n/a nM
Citation
Raddatz, P; Jonczyk, A; Minck, KO; Schmitges, CJ; Sombroek, J Substrate analogue renin inhibitors containing replacements of histidine in P2 or isosteres of the amide bond between P3 and P2 sites. J Med Chem 34:3267-80 (1991) [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:
BDBM50010416
Synonyms:
CHEMBL324692 | [[4-(Ethoxycarbonyl)piperdino]carbonyl]-Phe-beta-Ala-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]amide
Type:
Small organic molecule
Emp. Form.:
C44H67N9O8
Mol. Mass.:
850.0583
SMILES:
CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1cnc(C)nc1N