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Target
Renin
Ligand
BDBM50005320
Substrate
n/a
Meas. Tech.
ChEBML_195745
pH
7.4±n/a
IC50
>20000±n/a nM
Comments
extracted
Citation
 de Laszlo, SE; Bush, BL; Doyle, JJ; Greenlee, WJ; Hangauer, DG; Halgren, TA; Lynch, RJ; Schorn, TW; Siegl, PK Synthesis and use of 3-amino-4-phenyl-2-piperidones and 4-amino-2-benzazepin-3-ones as conformationally restricted phenylalanine isosteres in renin inhibitors. J Med Chem 35:833-46 (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:
BDBM50005320
Synonyms:
6-Cyclohexyl-5-{2-[4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-oxo-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl]-hexanoylamino}-4-hydroxy-2-isopropyl-hexanoic acid butylamide;0.7H2O | CHEMBL165476
Type:
Small organic molecule
Emp. Form.:
C43H60N4O6
Mol. Mass.:
728.9597
SMILES:
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1Cc2ccccc2C[C@H](N2C(=O)c3ccccc3C2=O)C1=O)C(C)C
Structure:
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