Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50006434
Substrate
n/a
Meas. Tech.
ChEBML_196103
IC50
678±n/a nM
Citation
 Ashton, WT; Cantone, CL; Meurer, LC; Tolman, RL; Greenlee, WJ; Patchett, AA; Lynch, RJ; Schorn, TW; Strouse, JF; Siegl, PK Renin inhibitors containing C-termini derived from mercaptoheterocycles. J Med Chem 35:2103-12 (1992) [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:
BDBM50006434
Synonyms:
4-[2-(5-{3-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propionylamino)-3-(1H-imidazol-4-yl)-propionylamino]-4-cyclohexyl-2-hydroxy-butylsulfanyl}-tetrazol-1-yl)-ethyl]-1-methyl-pyridinium; iodide | CHEMBL63190
Type:
Small organic molecule
Emp. Form.:
C39H55N10O5S
Mol. Mass.:
775.982
SMILES:
C[n+]1ccc(CCn2nnnc2SC[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1
Structure:
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