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Target
Beta-secretase 1 [1-453]
Ligand
BDBM29752
Substrate
BACE Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
pH
4.5±n/a
Temperature
295.15±n/a K
IC50
2100±n/a nM
Citation
 Machauer, R; Veenstra, S; Rondeau, JM; Tintelnot-Blomley, M; Betschart, C; Neumann, U; Paganetti, P Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors. Bioorg Med Chem Lett 19:1361-5 (2009) [PubMed]  Article 
Target
Name:
Beta-secretase 1 [1-453]
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1)
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:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDES
  
Inhibitor
Name:
BDBM29752
Synonyms:
macrocyclic peptidomimetic, 3f
Type:
Small organic molecule
Emp. Form.:
C26H49N3O4
Mol. Mass.:
467.685
SMILES:
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 |r|
Structure:
Search PDB for entries with ligand similarity:
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:
MCASEVNLDAEFKDNPH