Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50017801
Substrate
n/a
Meas. Tech.
ChEBML_195776
pH
7.2±n/a
IC50
600.0±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:
BDBM50017801
Synonyms:
CHEMBL437247 | Z-Pro-Phe-His-LeuP(CH2)Val-Ile-His-NH2
Type:
Small organic molecule
Emp. Form.:
C51H72N11O10P
Mol. Mass.:
1030.1588
SMILES:
CC[C@H](C)[C@H](NC(=O)C(CP(O)(=O)C(CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Structure:
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