Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM18269
Substrate
n/a
Meas. Tech.
ChEBML_195972
pH
7.2±n/a
IC50
6±n/a nM
Comments
extracted
Citation
 Göschke, R; Cohen, NC; Wood, JM; Maibaum, J Design and synthesis of novel 2,7-dialkyl substituted 5(S)-amino-4(S)-hydroxy-8-phenyl-octanecarboxamides as in vitro potent peptidomimetic inhibitors of human renin Bioorg Med Chem Lett 7:2735-2740 (1997)    Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM18269
Synonyms:
8-phenyl-octanecarboxamide peptidomimetic, 27 | methyl 2-{5-[(2S,4S,5S,7R)-4-amino-7-(butylcarbamoyl)-5-hydroxy-7-methyl-2-(propan-2-yl)heptyl]-2-tert-butylphenoxy}acetate
Type:
Small organic molecule
Emp. Form.:
C29H50N2O5
Mol. Mass.:
506.7177
SMILES:
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(OCC(=O)OC)c1)C(C)(C)C)C(C)C |r|
Structure:
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