Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50281229
Substrate
n/a
Meas. Tech.
ChEBML_196101
pH
7±n/a
IC50
11±n/a nM
Comments
extracted
Citation
Poss, MA; Reid, JA; Free, CA; Rogers, W; Weber, H; Ryono, DE; Dejneka, T; DeForrest, JM; Waldron, TL; Brittain, RJ; Weller, HN; Cimarusti, MP; Petrillo, EW Diol sulfonamides: A potent and novel class of inhibitors of human renin Bioorg Med Chem Lett 3:2739-2744 (1993) Article
More Info.:
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:
BDBM50281229
Synonyms:
1H-Indole-2-carboxylic acid [(S)-1-[4-((S,S,R)-butylsulfamoyl)-1-cyclohexylmethyl-2,3-dihydroxy-butylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-amide | CHEMBL92377
Type:
Small organic molecule
Emp. Form.:
C30H44N6O6S
Mol. Mass.:
616.772
SMILES:
CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1