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Target
Beta-secretase 1
Ligand
BDBM477915
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic FRET (Fluorescence Resonance Energy Transfer) Assays
IC50
6.00±n/a nM
Citation
 Allen, JR; Amegadzie, A; Bourbeau, MP; Chen, JJ; Frohn, MJ; Harrington, PE; Low, JD; Ma, VV; Nguyen, TT; Pickrell, A; Reeves, C Cyclopropyl fused thiazine derivatives as beta-secretase inhibitors and methods of use US Patent  US10889581 Publication Date 1/12/2021 
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:
BDBM477915
Synonyms:
(E)-3-((1R,5S,6S)-3-amino-5-(2-fluoro-5-((3-methylisothiazol-5-yl)ethynyl)phenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)-1-morpholinoprop-2-en-1-one | US10889581, Example 118
Type:
Small organic molecule
Emp. Form.:
C25H24F2N4O2S2
Mol. Mass.:
514.61
SMILES:
Cc1cc(sn1)C#Cc1ccc(F)c(c1)[C@@]1(CF)N=C(N)S[C@]2(C[C@@H]12)\C=C\C(=O)N1CCOCC1 |r,t:20|
Structure:
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