Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 1
LigandBDBM124154
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
Temperature310.15±n/a K
IC50 17±n/a nM
Commentsextracted
Citation Hilpert, HWostl, W 1,3-oxazines as BACE1 and/or BACE2 inhibitors US Patent US8754075 Publication Date 6/17/2014
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
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:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM124154
n/a
NameBDBM124154
Synonyms:US8754075, 24
TypeSmall organic molecule
Emp. Form.C20H18F6N4O3
Mol. Mass.476.3723
SMILESC[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2ccc(OCC(F)(F)C(F)F)cn2)ccc1F |r,t:2|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: