Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 1
LigandBDBM165915
Substrate/Competitorn/a
Meas. Tech.ELISA Assay
IC50 300±n/a nM
Citation Hilpert, HRogers-Evans, MRombach, D 1,4 thiazepines/sulfones as BACE1 and/or BACE2 inhibitors US Patent US9067924 Publication Date 6/30/2015
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase 1
Synonyms:BACE1_MOUSE | Bace | Bace1 | Beta-secretase 1 | Beta-secretase 1 (BACE1)
Type:Enzyme
Mol. Mass.:55739.56
Organism:Mus musculus (Mouse)
Description:P56818
Residue:501
Sequence:
MAPALHWLLLWVGSGMLPAQGTHLGIRLPLRSGLAGPPLGLRLPRETDEESEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHIPNIFSLQLCGAGFPLNQTEALASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAVSQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTADMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRHQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM165915
n/a
NameBDBM165915
Synonyms:US9067924, 9
TypeSmall organic molecule
Emp. Form.C17H19ClFN5O3S
Mol. Mass.427.881
SMILESCC1C(N)=N[C@@](C)(CCS1(=O)=O)c1cc(NC(=O)c2[nH]ncc2Cl)ccc1F |r,c:3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: