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TargetRenin
LigandBDBM50330355
Substrate/Competitorn/a
Meas. Tech.ChEMBL_751249 (CHEMBL1787617)
IC50 0.16±n/a nM
Citation Thangapandian, SJohn, SSakkiah, SLee, KW Potential virtual lead identification in the discovery of renin inhibitors: application of ligand and structure-based pharmacophore modeling approaches. Eur J Med Chem46:2469-76 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Renin
Name:Renin
Synonyms:Angiotensinogenase | REN | RENI_HUMAN
Type:Enzyme
Mol. Mass.:45058.99
Organism:Homo sapiens (Human)
Description:n/a
Residue:406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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  Blast E-value cutoff:
BDBM50330355
n/a
NameBDBM50330355
Synonyms:(1R,5S)-N-cyclopropyl-7-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | (1R,5S)-N-cyclopropyl-7-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}-N-(2,3-dimethylbenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide | CHEMBL1230745
TypeSmall organic molecule
Emp. Form.C35H39Cl2N3O3
Mol. Mass.620.608
SMILESCc1cc(Cl)c(OCCOc2ccc(cc2)C2=C([C@H]3CNC[C@@H](C2)N3)C(=O)N(Cc2cccc(C)c2C)C2CC2)c(Cl)c1 |r,t:17|
Structure
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