Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM50281226
Substrate
n/a
Meas. Tech.
ChEBML_196101
pH
7±n/a
IC50
0.350000±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 
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:
BDBM50281226
Synonyms:
CHEMBL328736 | N-[(S)-1-[(2R,3S)-4-((R)-Butylsulfamoyl)-1-cyclohexylmethyl-2,3-dihydroxy-butylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-2-(2-methyl-propane-2-sulfonylmethyl)-3-(S)-phenyl-propionamide
Type:
Small organic molecule
Emp. Form.:
C35H57N5O8S2
Mol. Mass.:
739.986
SMILES:
CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: