Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50042824
Substrate
n/a
Meas. Tech.
ChEBML_195961
IC50
170±n/a nM
Citation
 Lunney, EA; Hamilton, HW; Hodges, JC; Kaltenbronn, JS; Repine, JT; Badasso, M; Cooper, JB; Dealwis, C; Wallace, BA; Lowther, WT Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J Med Chem 36:3809-20 (1994) [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:
BDBM50042824
Synonyms:
6-Cyclohexyl-4-hydroxy-5-[3-(1H-imidazol-4-yl)-2-(3-naphthalen-1-yl-2-naphthalen-1-ylmethyl-propionylamino)-propionylamino]-2-isobutyl-hexanoic acid (2-methyl-butyl)-amide | CHEMBL328965
Type:
Small organic molecule
Emp. Form.:
C51H67N5O4
Mol. Mass.:
814.1088
SMILES:
CCC(C)CNC(=O)C(CC(C)C)CC(O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
Structure:
Search PDB for entries with ligand similarity: