Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetRenin
LigandBDBM50014082
Substrate/Competitorn/a
Meas. Tech.ChEMBL_90786 (CHEMBL701248)
pH6.5±n/a
IC50 7.9±n/a nM
Commentsextracted
Citation Rosenberg, SHWoods, KWSham, HLKleinert, HDMartin, DLStein, HCohen, JEgan, DABopp, BMerits, I Water-soluble renin inhibitors: design of a subnanomolar inhibitor with a prolonged duration of action. J Med Chem33:1962-9 (1990) [PubMed]
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50014082
n/a
NameBDBM50014082
Synonyms:(S)-N-[(S)-1-[(1S,2R)-1-Cyclohexylmethyl-2-((S)-3-ethyl-2-oxo-oxazolidin-5-yl)-2-hydroxy-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-2-[3-(2,3-dihydroxy-propyl)-3-methyl-ureido]-3-(4-methoxy-phenyl)-propionamide | CHEMBL58351
TypeSmall organic molecule
Emp. Form.C35H53N7O9
Mol. Mass.715.8368
SMILESCCN1C[C@H](OC1=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)N(C)CC(O)CO
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: