Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 2
LigandBDBM486448
Substrate/Competitorn/a
Meas. Tech.In Vitro Enzymatic BACE1 and BACE2 FRET (Fluorescence Resonance Energy Transfer) Assays
IC50 6355±n/a nM
Citation Allen, JRBourbeau, MPChen, NFrohn, MJHarrington, PELiu, QReeves, C Substituted oxazines as beta-secretase inhibitors US Patent US10947223 Publication Date 3/16/2021
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 2
Name:Beta-secretase 2
Synonyms:BACE2_MOUSE | Bace2 | Beta-secretase 2 (BACE2)
Type:Enzyme
Mol. Mass.:55787.27
Organism:Mus musculus (Mouse)
Description:Q9JL18
Residue:514
Sequence:
MGALLRALLLLVLAQWLLSAVPALAPAPFTLPLQVAGATNHRASAVPGLGTPELPRADGL
ALALEPVRATANFLAMVDNLQGDSGRGYYLEMLIGTPPQKVQILVDTGSSNFAVAGAPHS
YIDTYFDSESSSTYHSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNSSFLVNIATIFESE
NFFLPGIKWNGILGLAYAALAKPSSSLETFFDSLVAQAKIPDIFSMQMCGAGLPVAGSGT
NGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQNLNLDCREYNADKAIVDS
GTTLLRLPQKVFDAVVEAVARTSLIPEFSDGFWTGAQLACWTNSETPWAYFPKISIYLRD
ENASRSFRITILPQLYIQPMMGAGFNYECYRFGISSSTNALVIGATVMEGFYVVFDRAQR
RVGFAVSPCAEIEGTTVSEISGPFSTEDIASNCVPAQALNEPILWIVSYALMSVCGAILL
VLILLLLLPLHCRHAPRDPEVVNDESSLVRHRWK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM486448
n/a
NameBDBM486448
Synonyms:5-((Z)-2-(3-((4R,5R)-2-amino-4-methyl-5-(2,2,2-trifluoroethoxy)-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluorophenyl)-1-fluorovinyl)pyrazine-2-carbonitrile | US10947223, Example 112
TypeSmall organic molecule
Emp. Form.C20H16F5N5O2
Mol. Mass.453.3654
SMILESC[C@@]1(N=C(N)OC[C@@H]1OCC(F)(F)F)c1cc(\C=C(/F)c2cnc(cn2)C#N)ccc1F |r,t:2|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: