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TargetBeta-secretase (BACE)
LigandBDBM50398270
Substrate/Competitorn/a
Meas. Tech.ChEMBL_874893
IC50 9.1±n/a nM
Citation Swahn, BMKolmodin, KKarlström, Svon Berg, SSöderman, PHolenz, JBerg, SLindström, JSundström, MTurek, DKihlström, JSlivo, CAndersson, LPyring, DRotticci, DOhberg, LKers, ABogar, Kvon Kieseritzky, FBergh, MOlsson, LLJanson, JEketjäll, SGeorgievska, BJeppsson, FFälting, J Design and synthesis ofß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction ofß-amyloid peptides. J Med Chem55:9346-61 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase (BACE)
Name:Beta-secretase (BACE)
Synonyms:Aspartyl protease 2 | BACE1 | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site amyloid precursor protein cleaving enzyme 1 | Memapsin-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
CCLRCLRQQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50398270
NameBDBM50398270
Synonyms:CHEMBL2177920
TypeSmall organic molecule
Emp. Form.C26H22FN5O
Mol. Mass.439.4842
SMILESCCn1cc(cc(C)c1=O)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:12|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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