Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50005428
Substrate
n/a
Meas. Tech.
ChEBML_192717
IC50
0.250000±n/a nM
Citation
 Repine, JT; Kaltenbronn, JS; Doherty, AM; Hamby, JM; Himmelsbach, RJ; Kornberg, BE; Taylor, MD; Lunney, EA; Humblet, C; Rapundalo, ST Renin inhibitors containing alpha-heteroatom amino acids as P2 residues. J Med Chem 35:1032-42 (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:
BDBM50005428
Synonyms:
CHEMBL8836 | N-[(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-ethoxy-methyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C31H52N4O8S
Mol. Mass.:
640.832
SMILES:
CCOC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Structure:
Search PDB for entries with ligand similarity: