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Target
Renin
Ligand
BDBM50340414
Substrate
n/a
Meas. Tech.
ChEMBL_741046 (CHEMBL1764274)
pH
7.4±n/a
IC50
0.04±n/a nM
Comments
extracted
Citation
 Aspiotis, R; Chen, A; Cauchon, E; Dubé, D; Falgueyret, JP; Gagné, S; Gallant, M; Grimm, EL; Houle, R; Juteau, H; Lacombe, P; Laliberté, S; Lévesque, JF; MacDonald, D; McKay, D; Percival, MD; Roy, P; Soisson, SM; Wu, T The discovery and synthesis of potent zwitterionic inhibitors of renin. Bioorg Med Chem Lett 21:2430-6 (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:
BDBM50340414
Synonyms:
2-(1-((3-(((3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamido)methyl)-5-(3-methoxypropyl)phenoxy)methyl)cyclopropyl)acetic acid | CHEMBL1761530
Type:
Small organic molecule
Emp. Form.:
C41H50Cl2N2O7
Mol. Mass.:
753.751
SMILES:
COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCC2(CC(O)=O)CC2)c1 |r|
Structure:
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