Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetRenin
LigandBDBM50022646
Substrate/Competitorn/a
Meas. Tech.ChEMBL_196100 (CHEMBL804784)
pH6±n/a
IC50 0.300000±n/a nM
Commentsextracted
Citation Plattner, JJMarcotte, PAKleinert, HDStein, HHGreer, JBolis, GFung, AKBopp, BALuly, JRSham, HL Renin inhibitors. Dipeptide analogues of angiotensinogen utilizing a structurally modified phenylalanine residue to impart proteolytic stability. J Med Chem31:2277-88 (1989) [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:
BDBM50022646
n/a
NameBDBM50022646
Synonyms:CHEMBL307917 | Morpholine-4-carboxylic acid {1-[1-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-3-phenyl-propyl}-amide
TypeSmall organic molecule
Emp. Form.C35H54N6O6
Mol. Mass.654.8399
SMILESCC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCc1ccccc1)NC(=O)N1CCOCC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: