Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50011702
Substrate
n/a
Meas. Tech.
ChEMBL_195928 (CHEMBL803284)
pH
7.4±n/a
IC50
1.5±n/a nM
Comments
extracted
Citation
 Williams, PD; Perlow, DS; Payne, LS; Holloway, MK; Siegl, PK; Schorn, TW; Lynch, RJ; Doyle, JJ; Strouse, JF; Vlasuk, GP Renin inhibitors containing conformationally restricted P1-P1' dipeptide mimetics. J Med Chem 34:887-900 (1991) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM50011702
Synonyms:
CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy-2-(1-methyl-2-oxo-5-vinyl-pyrrolidin-3-yl)-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C36H52N6O6
Mol. Mass.:
664.8347
SMILES:
CN1[C@H](C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)C=C
Structure:
Search PDB for entries with ligand similarity: