Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50012922
Substrate
n/a
Meas. Tech.
ChEMBL_195977 (CHEMBL807683)
IC50
1.000±n/a nM
Citation
 Roberts, DA; Bradbury, RH; Brown, D; Faull, A; Griffiths, D; Major, JS; Oldham, AA; Pearce, RJ; Ratcliffe, AH; Revill, J 1,2,4-Triazolo[4,3-a]pyrazine derivatives with human renin inhibitory activity. 1. Synthesis and biological properties of alkyl alcohol and statine derivatives. J Med Chem 33:2326-34 (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:
BDBM50012922
Synonyms:
4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic acid {1-cyclohexylmethyl-2-hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-4-oxo-butyl}-amide . 2H2O | 4-Methyl-2-[(pyridin-2-ylmethyl)-amino]-pentanoic acid {1-cyclohexylmethyl-2-hydroxy-4-[2-(8-isobutyl-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-3-pyridin-3-yl-propionylamino]-4-oxo-butyl}-amide . H2O | CHEMBL74564
Type:
Small organic molecule
Emp. Form.:
C46H59N9O4
Mol. Mass.:
802.0186
SMILES:
CC(C)CC(NCc1ccccn1)C(=O)NC(CC1CCCCC1)C(O)CC(=O)NC(=O)C(Cc1cccnc1)c1nnc2c(CC(C)C)nc(cn12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: