Target
Renin
Ligand
BDBM17950
Substrate
n/a
Meas. Tech.
ChEMBL_817422 (CHEMBL2027645)
IC50
0.53±n/a nM
Citation
 Jia, LSimpson, RDYuan, JXu, ZZhao, WCacatian, STice, CMGuo, JIshchenko, ASingh, SBWu, ZMcKeever, BMBukhtiyarov, YJohnson, JADoe, CPHarrison, RKMcGeehan, GMDillard, LWBaldwin, JJClaremon, DA Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility. ACS Med Chem Lett 2:747-751 (2011) [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: