Target
Renin
Ligand
BDBM17950
Substrate
n/a
Meas. Tech.
ChEMBL_603747 (CHEMBL1039372)
IC50
0.53±n/a nM
Citation
 Xu, ZCacatian, SYuan, JSimpson, RDJia, LZhao, WTice, CMFlaherty, PTGuo, JIshchenko, ASingh, SBWu, ZMcKeever, BMScott, BBBukhtiyarov, YBerbaum, JMason, JPanemangalore, RCappiello, MGBentley, RDoe, CPHarrison, RKMcGeehan, GMDillard, LWBaldwin, JJClaremon, DA Optimization of orally bioavailable alkyl amine renin inhibitors. Bioorg Med Chem Lett 20:694-9 (2010) [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: