Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50290651
Substrate
n/a
Meas. Tech.
ChEBML_195972
pH
7.2±n/a
IC50
130±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:
BDBM50290651
Synonyms:
(2R,4S,5S,7S)-5-Amino-7-(4-tert-butyl-3-hydroxy-benzyl)-4-hydroxy-2,8-dimethyl-nonanoic acid butylamide | CHEMBL93163
Type:
Small organic molecule
Emp. Form.:
C26H46N2O3
Mol. Mass.:
434.655
SMILES:
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(c(O)c1)C(C)(C)C)C(C)C
Structure:
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