Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50012941
Substrate
n/a
Meas. Tech.
ChEBML_195780
IC50
26±n/a nM
Citation
 Bradbury, RH; Major, JS; Oldham, AA; Rivett, JE; Roberts, DA; Slater, AM; Timms, D; Waterson, D 1,2,4-Triazolo[4,3-a]pyrazine derivatives with human renin inhibitory activity. 2. Synthesis, biological properties and molecular modeling of hydroxyethylene isostere derivatives. J Med Chem 33:2335-42 (1990) [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:
BDBM50012941
Synonyms:
6-Cyclohexyl-4-hydroxy-2-isopropyl-5-[2-(8-propyl-6-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-acetylamino]-hexanoic acid butylamide | CHEMBL306777
Type:
Small organic molecule
Emp. Form.:
C34H51N7O3
Mol. Mass.:
605.8138
SMILES:
CCCCNC(=O)[C@@H](CC(O)C(CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(cn12)-c1cccnc1)C(C)C
Structure:
Search PDB for entries with ligand similarity: