Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50012745
Substrate
n/a
Meas. Tech.
ChEBML_196104
pH
6±n/a
IC50
90±n/a nM
Comments
extracted
Citation
 Dellaria, JF; Maki, RG; Stein, HH; Cohen, J; Whittern, D; Marsh, K; Hoffman, DJ; Plattner, JJ; Perun, TJ New inhibitors of renin that contain novel phosphostatine Leu-Val replacements. J Med Chem 33:534-42 (1990) [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:
BDBM50012745
Synonyms:
CHEMBL3143420 | {3-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propionylamino)-3-(3H-imidazol-4-yl)-propionylamino]-4-cyclohexyl-2-hydroxy-butyl}-phosphonic acid dimethyl ester
Type:
Small organic molecule
Emp. Form.:
C32H50N5O8P
Mol. Mass.:
663.7419
SMILES:
COP(=O)(C[C@@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
Structure:
Search PDB for entries with ligand similarity: