Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 2
LigandBDBM486442
Substrate/Competitorn/a
Meas. Tech.In Vitro Enzymatic BACE1 and BACE2 FRET (Fluorescence Resonance Energy Transfer) Assays
IC50 375±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:
BDBM486442
n/a
NameBDBM486442
Synonyms:(2R,5R)-5-(2-fluoro-5-((Z)-2-fluoro-2-(5-(prop-2-yn-1-yloxy)pyrazin-2-yl)vinyl)phenyl)-2,5-dimethyl-2-(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-3-amine | US10947223, Example 107
TypeSmall organic molecule
Emp. Form.C22H19F5N4O2
Mol. Mass.466.4039
SMILESC[C@]1(CO[C@](C)(C(N)=N1)C(F)(F)F)c1cc(\C=C(/F)c2cnc(OCC#C)cn2)ccc1F |r,c:7|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: