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TargetBeta-secretase 1
LigandBDBM116248
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
pH4.5±n/a
Temperature298.15±n/a K
IC50 93±n/a nM
Commentsextracted
Citation Badiger, SChebrolu, MHurth, KJacquier, SLueoend, RMMachauer, RRueeger, HTintelnot-Blomley, MVeenstra, SJVoegtle, M Heterocyclic derivatives and their use in the treatment of neurological disorders US Patent US8637508 Publication Date 1/28/2014
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 | 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.:55701.04
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:
BDBM116248
NameBDBM116248
Synonyms:US10035794, Example 25 | US8637508, 25
TypeSmall organic molecule
Emp. Form.C20H21F4N5O3
Mol. Mass.455.4061
SMILESCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@]2(C)CO[C@](C)(C(N)=N2)C(F)(F)F)c(C)c1 |r,c:24|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a