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TargetRenin
LigandBDBM50285792
Substrate/Competitorn/a
Meas. Tech.ChEBML_195935
IC50 0.300000±n/a nM
Citation Lefker BAHada WAWright ASMartin WHStock IASchulte GKPandit JDanley DEAmmirati MJSneddon SF Rational design, synthesis, and X-ray structure of renin inhibitors with extended P1 sidechains Bioorg Med Chem Lett 5:2623-2626 (1995)    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:
BDBM50285792
n/a
NameBDBM50285792
Synonyms:4-Oxo-piperidine-1-carboxylic acid {(S)-1-[(R)-1-((1S,2R,3S)-1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-methylsulfanyl-ethylcarbamoyl]-2-phenyl-ethyl}-amide | CHEMBL89235
TypeSmall organic molecule
Emp. Form.C33H52N4O6S
Mol. Mass.632.854
SMILESCSC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: