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Target
Renin
Ligand
BDBM50012322
Substrate
n/a
Meas. Tech.
ChEMBL_196260 (CHEMBL803237)
Ki
0.051±n/a nM
Citation
 Epps, DE; Poorman, RA; Mandel, F; Schostarez, HJ Determination of dissociation constants of high affinity (pM) human renin inhibitors: application to analogues of ditekiren (U-71,038). J Med Chem 34:2107-12 (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:
BDBM50012322
Synonyms:
CHEMBL264524 | N-(2-Hydroxy-1,1-bis-hydroxymethyl-ethyl)-formamide 2-(1-{3-hydroxy-4-[2-(1H-5-imidazolyl)-1-methyl(2-phenyl-1-tetrahydro-1H-2-pyrrolylcarboxamidoethyl)carboxamidoethylcarboxamido]-1-isopropyl-6-methylheptylcarboxamido}-2-methylbutylcarboxamidomethyl)-1-pyridiniumolate | Pyrrolidine-1,2-dicarboxylic acid 1-ethylamide 2-[(1-{[1-(2-hydroxy-1-isobutyl-5-methyl-4-{2-methyl-1-[(N-oxy-pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-(1H-imidazol-4-yl)-ethyl]-methyl-carbamoyl}-2-phenyl-(2-(-2-hydroxymethyl-propane-1,3-diol))-amide](U-77,436)
Type:
Small organic molecule
Emp. Form.:
C50H76N10O11
Mol. Mass.:
993.1988
SMILES:
CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)NC(CO)(CO)CO)C(C)C)C(=O)NCc1cccc[n+]1[O-]
Structure:
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