Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50022965
Substrate
n/a
Meas. Tech.
ChEBML_195948
IC50
100±n/a nM
Citation
 Rosenberg, SH; Plattner, JJ; Woods, KW; Stein, HH; Marcotte, PA; Cohen, J; Perun, TJ Novel renin inhibitors containing analogues of statine retro-inverted at the C-termini: specificity at the P2 histidine site. J Med Chem 30:1224-8 (1987) [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:
BDBM50022965
Synonyms:
CHEMBL3143459 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-4-(4-methyl-pentanoylamino)-butylcarbamoyl]-2-(3-methyl-3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C38H60N6O6
Mol. Mass.:
696.9196
SMILES:
CC(C)CCC(=O)NCC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: