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Target
Renin
Ligand
BDBM18321
Substrate
tetradecapeptide substrate, TDP
Meas. Tech.
In Vitro Enzyme Inhibition
pH
7.2±n/a
Temperature
310.15±n/a K
IC50
1±n/a nM
Citation
 Maibaum, J; Stutz, S; Göschke, R; Rigollier, P; Yamaguchi, Y; Cumin, F; Rahuel, J; Baum, HP; Cohen, NC; Schnell, CR; Fuhrer, W; Gruetter, MG; Schilling, W; Wood, JM Structural Modification of the P2' Position of 2,7-Dialkyl-Substituted 5(S)-Amino-4(S)-hydroxy-8-phenyl-octanecarboxamides: The Discovery of Aliskiren, a Potent Nonpeptide Human Renin Inhibitor Active after Once Daily Dosing in Marmosets. J Med Chem 50:4832-44 (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:
BDBM18321
Synonyms:
(2S,4S,5S,7S)-5-amino-N-butyl-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide | 2,7-dialkyl-substituted 8-phenyl-octanecarboxamide, 28
Type:
Small organic molecule
Emp. Form.:
C29H52N2O5
Mol. Mass.:
508.7336
SMILES:
CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(C)C |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