Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50005312
Substrate
n/a
Meas. Tech.
ChEBML_195745
pH
7.4±n/a
IC50
21±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
More Info.:
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:
BDBM50005312
Synonyms:
5-[2-(3-Acetylamino-2-oxo-4-phenyl-piperidin-1-yl)-hexanoylamino]-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid butylamide | CHEMBL350358
Type:
Small organic molecule
Emp. Form.:
C38H62N4O5
Mol. Mass.:
654.9227
SMILES:
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)N1CC[C@@H]([C@H](NC(C)=O)C1=O)c1ccccc1)C(C)C