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Targetbeta-Secretase (BACE-1)
LigandBDBM29751
Substrate/CompetitorBACE Peptide Substrate
Meas. Tech.Enzyme Inhibition Measurements
pH4.5±n/a
Temperature295.15±n/a K
Comments46% inhibition @ 10 uM.
Citation Machauer, RVeenstra, SRondeau, JMTintelnot-Blomley, MBetschart, CNeumann, UPaganetti, P Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors. Bioorg Med Chem Lett19:1361-5 (2009) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
beta-Secretase (BACE-1)
Name:beta-Secretase (BACE-1)
Synonyms:ASP2 | Asp 2 | Aspartyl protease 2 | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | Memapsin-2 | Membrane-associated aspartic protease 2
Type:Enzyme
Mol. Mass.:50193.81
Organism:Homo sapiens (human)
Description:Recombinant human BACE (SwissProt accession number P56817, amino acids 1-453 + a thrombin-cleavable C-kappa tag) was produced in-house using Sf9 insect cells.
Residue:453
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM29751
NameBDBM29751
Synonyms:macrocyclic peptidomimetic, 3e
TypeSmall organic molecule
Emp. Form.C24H45N3O4
Mol. Mass.439.6318
SMILESCCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BACE Peptide Substrate
Name:BACE Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:1917.56
Organism:n/a
Description:Peptide substrates were obtained from Bachem (Bubendorf, Switzerland).
Residue:17
Sequence:
Mca-SEVNLDAEFK(DNP)-OH