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Target
Beta-secretase 1
Ligand
BDBM342431
Substrate
n/a
Meas. Tech.
Cell-Free Assay
IC50
10800±n/a nM
Citation
 Brodney, MA; Butler, CR; Zhang, L; O Neill, BT N-(2-(2-amino-6-substituted-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]OXAZIN-8a(8H)-yl)-thiazol-4-yl) amides US Patent  US9771379 Publication Date 9/26/2017 
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:
BDBM342431
Synonyms:
N-(2-((4aS,6S,8aS)-2- amino-6-(trifluoromethyl)- 4,4a,5,6-tetrahydropyrano [3,4-d][1,3]oxazin-8a(8H)- yl)thiazol-4-yl)-5- (difluoromethoxy)-3- methylpicolinamide | US9771379, Example 11b
Type:
Small organic molecule
Emp. Form.:
C19H18F5N5O4S
Mol. Mass.:
507.434
SMILES:
Cc1cc(OC(F)F)cnc1C(=O)Nc1csc(n1)[C@@]12CO[C@@H](C[C@@H]1COC(N)=N2)C(F)(F)F |r,c:31|
Structure:
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