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TargetRenin
LigandBDBM50340414
Substrate/Competitorn/a
Meas. Tech.ChEMBL_741046
pH7.4±n/a
IC50 0.04±n/a nM
Commentsextracted
Citation Aspiotis RChen ACauchon EDubé DFalgueyret JPGagné SGallant MGrimm ELHoule RJuteau HLacombe PLaliberté SLévesque JFMacDonald DMcKay DPercival MDRoy PSoisson SMWu T The discovery and synthesis of potent zwitterionic inhibitors of renin. Bioorg Med Chem Lett 21:2430-6 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Renin
Name:Renin
Synonyms:Angiotensinogenase
Type:Enzyme
Mol. Mass.:45058.99
Organism:Homo sapiens (Human)
Description:n/a
Residue:406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50340414
n/a
NameBDBM50340414
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
TypeSmall organic molecule
Emp. Form.C41H50Cl2N2O7
Mol. Mass.753.751
SMILESCOCCCc1cc(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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