Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetRenin
LigandBDBM50328913
Substrate/Competitorn/a
Meas. Tech.ChEMBL_673988
IC50 0.15±n/a nM
Citation Corminboeuf OBezençon ORemen LGrisostomi CRichard-Bildstein SBur DPrade LStrickner PHess PFischli WSteiner BTreiber A Piperidine-based renin inhibitors: upper chain optimization. Bioorg Med Chem Lett 20:6291-6 (2010) [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:
BDBM50328913
n/a
NameBDBM50328913
Synonyms:CHEMBL1269751 | methyl 4-chloro-3-(((3R,4S)-4-(4-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)phenyl)-N-cyclopropylpiperidine-3-carboxamido)methyl)benzylcarbamate
TypeSmall organic molecule
Emp. Form.C35H34Cl2F2N4O5
Mol. Mass.699.571
SMILESCOC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(no3)-c3c(F)ccc(F)c3Cl)cc2)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: