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Target
Renin
Ligand
BDBM17950
Substrate
Renin Substrate
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
Temperature
298.15±n/a K
IC50
0.5±n/a nM
Comments
extracted
Citation
 Tice, CM; Xu, Z; Yuan, J; Simpson, RD; Cacatian, ST; Flaherty, PT; Zhao, W; Guo, J; Ishchenko, A; Singh, SB; Wu, Z; Scott, BB; Bukhtiyarov, Y; Berbaum, J; Mason, J; Panemangalore, R; Cappiello, MG; Müller, D; Harrison, RK; McGeehan, GM; Dillard, LW; Baldwin, JJ; Claremon, DA Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. Bioorg Med Chem Lett 19:3541-5 (2009) [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:
BDBM17950
Synonyms:
(2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethylethyl)-4-hydroxy-7-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-8-methyl-2-(propan-2-yl)nonanamide | ALISKIREN FUMARATE | Aliskiren | Aliskiren Hemifumarate | CHEMBL1639 | Rasilez | TEKTURNA
Type:
Small organic molecule
Emp. Form.:
C30H53N3O6
Mol. Mass.:
551.7583
SMILES:
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Renin Substrate
Synonyms:
n/a
Type:
FRET peptide substrate
Mol. Mass.:
4889.99
Organism:
n/a
Description:
n/a
Residue:
44
Sequence:
DACYLGAMMAAILEHISPRPHEHISLEVALILEHISTHREDANS