Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetRenin
LigandBDBM50340409
Substrate/Competitorn/a
Meas. Tech.ChEMBL_741040
IC50 2.9±n/a nM
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:
BDBM50340409
n/a
NameBDBM50340409
Synonyms:(3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(3-methoxypropyl)-5-(3-(methylsulfonamido)propoxy)benzyl)piperidine-3-carboxamide | CHEMBL1761521
TypeSmall organic molecule
Emp. Form.C39H51Cl2N3O7S
Mol. Mass.776.809
SMILESCOCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCCNS(C)(=O)=O)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: