Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50005321
Substrate
n/a
Meas. Tech.
ChEBML_195745
pH
7.4±n/a
IC50
0.840000±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:
BDBM50005321
Synonyms:
5-[2-(2-Acetylamino-3-phenyl-propionylamino)-hexanoylamino]-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid butylamide | CHEMBL165580
Type:
Small organic molecule
Emp. Form.:
C36H60N4O5
Mol. Mass.:
628.8854
SMILES:
CCCCNC(=O)[C@@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCC)NC(=O)C(Cc1ccccc1)NC(C)=O)C(C)C
Structure:
Search PDB for entries with ligand similarity: