Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50017808
Substrate
n/a
Meas. Tech.
ChEBML_195776
pH
7.2±n/a
IC50
>30000±n/a nM
Comments
extracted
Citation
 Allen, MC; Fuhrer, W; Tuck, B; Wade, R; Wood, JM Renin inhibitors. Synthesis of transition-state analogue inhibitors containing phosphorus acid derivatives at the scissile bond. J Med Chem 32:1652-61 (1989) [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:
BDBM50017808
Synonyms:
CHEMBL405817 | {1-[2-[(2-tert-Butoxycarbonylamino-3-phenyl-propionyl)-methyl-amino]-3-(3H-imidazol-4-yl)-propionylamino]-3-methyl-butyl}-(2-{1-[1-carbamoyl-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-3-methyl-butyl)-phosphinic acid
Type:
Small organic molecule
Emp. Form.:
C44H69N10O9P
Mol. Mass.:
913.054
SMILES:
CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Structure:
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