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Target
Beta-secretase 1
Ligand
BDBM16701
Substrate
BACE Substrate Peptide
Meas. Tech.
In Vitro BACE1 Activity Assay
pH
4.5±n/a
Temperature
295.15±n/a K
IC50
20±n/a nM
Citation
 Coburn, CA; Stachel, SJ; Jones, KG; Steele, TG; Rush, DM; DiMuzio, J; Pietrak, BL; Lai, MT; Huang, Q; Lineberger, J; Jin, L; Munshi, S; Katharine Holloway, M; Espeseth, A; Simon, A; Hazuda, D; Graham, SL; Vacca, JP BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres. Bioorg Med Chem Lett 16:3635-8 (2006) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | 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) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM16701
Synonyms:
(2S)-2-{[(2S)-2-({3-[(Z)-2-[(1S,2S)-2-methylcyclopropyl]ethenyl]-5-(N-methylmethanesulfonamido)phenyl}formamido)-3-phenylpropyl]amino}-N-(2-methylpropyl)propanamide | N-[(1S)-1-benzyl-2-({(1S)-1-methyl-2-[(2-methylpropyl)amino]-2-oxoethyl}amino)ethyl]-3-{(Z)-2-[(1S,2S)-2-methylcyclopropyl]ethenyl}-5-[methyl(methylsulfonyl)amino]benzamide | Reduced amide inhibitor 9
Type:
Small organic molecule
Emp. Form.:
C31H44N4O4S
Mol. Mass.:
568.77
SMILES:
CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c1cc(\C=C/[C@H]2C[C@@H]2C)cc(c1)N(C)S(C)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BACE Substrate Peptide
Synonyms:
BACE-1 Substrate Peptide
Type:
Peptide
Mol. Mass.:
1557.77
Organism:
n/a
Description:
It is a coumarin (CM)-labeled peptide containing an optimized cleavage sequence NFEV.
Residue:
12
Sequence:
CMREVNFEVEFR