Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006175
Substrate
n/a
Meas. Tech.
ChEBML_195919
pH
6±n/a
IC50
11±n/a nM
Comments
extracted
Citation
 Boyd, SA; Fung, AK; Baker, WR; Mantei, RA; Armiger, YL; Stein, HH; Cohen, J; Egan, DA; Barlow, JL; Klinghofer, V C-terminal modifications of nonpeptide renin inhibitors: improved oral bioavailability via modification of physicochemical properties. J Med Chem 35:1735-46 (1992) [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:
BDBM50006175
Synonyms:
CHEMBL299612 | {4-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propionylamino)-3-(1H-imidazol-4-yl)-propionylamino]-5-cyclohexyl-3-hydroxy-1-isopropyl-pentyl}-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C42H60N6O7
Mol. Mass.:
760.9618
SMILES:
CC(C)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: