Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50022351
Substrate
n/a
Meas. Tech.
ChEBML_195767
IC50
100±n/a nM
Citation
 Dellaria, JF; Maki, RG; Bopp, BA; Cohen, J; Kleinert, HD; Luly, JR; Merits, I; Plattner, JJ; Stein, HH Optimization and in vivo evaluations of a series of small, potent, and specific renin inhibitors containing a novel Leu-Val replacement. J Med Chem 30:2137-44 (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:
BDBM50022351
Synonyms:
CHEMBL3142223 | {1-[1-(1-Cyclohexylmethyl-3-cyclohexylsulfanyl-2-hydroxy-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C36H55N5O5S
Mol. Mass.:
669.917
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)CSC1CCCCC1
Structure:
Search PDB for entries with ligand similarity: