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Target
Beta-secretase 1 [22-457]
Ligand
BDBM32394
Substrate
BACE 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:
Beta-secretase 1 [22-457]
Synonyms:
Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1)
Type:
Extracellular Domain
Mol. Mass.:
48425.17
Organism:
Homo sapiens (Human)
Description:
Recombinant beta-secretase was purchased from Sigma.
Residue:
436
Sequence:
TQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMT
  
Inhibitor
Name:
BDBM32394
Synonyms:
carboxamide, 12c
Type:
Small organic molecule
Emp. Form.:
C36H41N3O2
Mol. Mass.:
547.7296
SMILES:
O=C(Cc1ccccc1)N(CCCNCCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BACE Substrate Peptide
Synonyms:
n/a
Type:
fluorogenic substrate
Mol. Mass.:
5746.92
Organism:
n/a
Description:
n/a
Residue:
54
Sequence:
MCACSERGLVALASNLEASPALAGLPHEARGDINITRPHENYLLYSARGARGNH