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Target
Beta-secretase 2
Ligand
BDBM477909
Substrate
n/a
Meas. Tech.
In Vitro Enzymatic FRET (Fluorescence Resonance Energy Transfer) Assays
IC50
1590±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 2
Synonyms:
AEPLC | ALP56 | ASP1 | ASP21 | Asp 1 | Aspartic-like protease 56 kDa | Aspartyl protease 1 | BACE2 | BACE2_HUMAN | Beta secretase 2 | Beta-secretase (BACE) | Beta-secretase 2 | Beta-secretase 2 (BACE-2) | Beta-secretase 2 precursor | Beta-site APP-cleaving enzyme 2 | Down region aspartic protease | Memapsin-1 | Membrane-associated aspartic protease 1 | beta-Secretase (BACE-2)
Type:
Protein
Mol. Mass.:
56171.20
Organism:
Homo sapiens (Human)
Description:
Q9Y5Z0
Residue:
518
Sequence:
MGALARALLLPLLAQWLLRAAPELAPAPFTLPLRVAAATNRVVAPTPGPGTPAERHADGLALALEPALASPAGAANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPAQSLSEPILWIVSYALMSVCGAILLVLIVLLLLPFRCQRRPRDPEVVNDESSLVRHRWK
  
Inhibitor
Name:
BDBM477909
Synonyms:
(E)-3-((1R,5S,6S)-3-amino-5-(5-((5-cyanopyridin-2-yl)ethynyl)-2-fluorophenyl)-5-(fluoromethyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-1-yl)-N,N-dimethylacrylamide | US10889581, Example 112
Type:
Small organic molecule
Emp. Form.:
C25H21F2N5OS
Mol. Mass.:
477.529
SMILES:
CN(C)C(=O)\C=C\[C@]12C[C@H]1[C@](CF)(N=C(N)S2)c1cc(ccc1F)C#Cc1ccc(cn1)C#N |r,t:14|
Structure:
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