Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM32391
Substrate
Renin Substrate Peptide
Meas. Tech.
Enzyme Inhibition Assay
Temperature
298.15±n/a K
IC50
>250000±n/a nM
Comments
extracted
Citation
 Blum, A; Böttcher, J; Sammet, B; Luksch, T; Heine, A; Klebe, G; Diederich, WE Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors. Bioorg Med Chem 16:8574-86 (2008) [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:
BDBM32391
Synonyms:
iso-butyl-substituted sulfonamide, 9b
Type:
Small organic molecule
Emp. Form.:
C24H39N5O4S2
Mol. Mass.:
525.728
SMILES:
CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Renin Substrate Peptide
Synonyms:
n/a
Type:
fluorogenic substrate
Mol. Mass.:
5461.57
Organism:
n/a
Description:
n/a
Residue:
49
Sequence:
ARGGLEDANSILEHISPRPHEHISLEVALILEHISTHRLYSDACYLARG