Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM18293
Substrate
tetradecapeptide substrate, TDP
Meas. Tech.
In Vitro Enzyme Inhibition
pH
7.2±n/a
Temperature
310.15±n/a K
IC50
2±n/a nM
Citation
 Göschke, R; Stutz, S; Rasetti, V; Cohen, NC; Rahuel, J; Rigollier, P; Baum, HP; Forgiarini, P; Schnell, CR; Wagner, T; Gruetter, MG; Fuhrer, W; Schilling, W; Cumin, F; Wood, JM; Maibaum, J Novel 2,7-Dialkyl-Substituted 5(S)-Amino-4(S)-hydroxy-8-phenyl-octanecarboxamide Transition State Peptidomimetics Are Potent and Orally Active Inhibitors of Human Renin. J Med Chem 50:4818-31 (2007) [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:
BDBM18293
Synonyms:
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,8-dimethyl-N-[2-(morpholin-4-yl)ethyl]nonanamide | 8-phenyl-octanecarboxamide peptidomimetic, 50
Type:
Small organic molecule
Emp. Form.:
C29H51N3O6
Mol. Mass.:
537.7317
SMILES:
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN2CCOCC2)C(C)C)ccc1OC |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
tetradecapeptide substrate, TDP
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4775.39
Organism:
n/a
Description:
n/a
Residue:
42
Sequence:
HASPARGVALTYRILEHISPRPHEHISLEVALILEHISSERH