Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50406091
Substrate
n/a
Meas. Tech.
ChEBML_195779
IC50
95±n/a nM
Citation
 Kempf, DJ; de Lara, E; Stein, HH; Cohen, J; Egan, DA; Plattner, JJ Renin inhibitors based on dipeptide analogues. Incorporation of the hydroxyethylene isostere at the P2/P3 sites. J Med Chem 33:371-4 (1990) [PubMed]  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:
BDBM50406091
Synonyms:
CHEMBL2111811
Type:
Small organic molecule
Emp. Form.:
C37H58N6O6
Mol. Mass.:
682.893
SMILES:
CC(C)CNC(=O)C(=C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cn1ccnn1
Structure:
Search PDB for entries with ligand similarity: