Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50287362
Substrate
n/a
Meas. Tech.
ChEBML_195772
pH
7.2±n/a
IC50
2100±n/a nM
Comments
extracted
Citation
 Rasetti, V; Cohen, NC; Rüeger, H; Göschke, R; Maibaum, J; Cumin, F; Fuhrer, W; Wood, JM Bioactive hydroxyethylene dipeptide isosteres with hydrophobic (P3-P1)-moieties. A novel strategy towards small non-peptide renin inhibitors Bioorg Med Chem Lett 6:1589-1594 (1996)    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:
BDBM50287362
Synonyms:
(2R,4S,5S)-5-Amino-4-hydroxy-2,7,7-trimethyl-10-naphthalen-1-yl-decanoic acid butylamide | CHEMBL42373
Type:
Small organic molecule
Emp. Form.:
C27H42N2O2
Mol. Mass.:
426.6346
SMILES:
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCCc1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: