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TargetPepsin A
LigandBDBM50010409
Substrate/Competitorn/a
Meas. Tech.ChEBML_153980
IC50>100000±n/a nM
Citation Raddatz, PJonczyk, AMinck, KOSchmitges, CJSombroek, J Substrate analogue renin inhibitors containing replacements of histidine in P2 or isosteres of the amide bond between P3 and P2 sites. J Med Chem34:3267-80 (1991) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Pepsin A
Name:Pepsin A
Synonyms:Pepsin | Pepsin A precursor
Type:Enzyme
Mol. Mass.:41232.87
Organism:Porcine
Description:n/a
Residue:385
Sequence:
MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALI
GDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDS
STFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGIL
GLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNW
VPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENS
DGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWIL
GDVFIRQYYTVFDRANNKVGLAPVA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50010409
NameBDBM50010409
Synonyms:CHEMBL112091 | {3-[(3-{1-[(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl)-methylsulfanyl]-1-benzyl-2-hydroxy-propyl}-carbamic acid tert-butyl ester
TypeSmall organic molecule
Emp. Form.C40H63N7O7S
Mol. Mass.786.036
SMILESCC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CSC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Structure
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n/a