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TargetBeta-secretase (BACE)
LigandBDBM26502
Substrate/CompetitorFluorescent Substrate
Meas. Tech.Enzyme Inhibition Assay
pH4.5±n/a
Temperature295.15±n/a K
IC50 3±n/a nM
Citation Charrier NClarke BCutler LDemont EDingwall CDunsdon REast PHawkins JHowes CHussain IJeffrey PMaile GMatico RMosley JNaylor AO'Brien ARedshaw SRowland PSoleil VSmith KJSweitzer STheobald PVesey DWalter DSWayne G Second generation of hydroxyethylamine BACE-1 inhibitors: optimizing potency and oral bioavailability. J Med Chem 51:3313-7 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  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:
BDBM26502
NameBDBM26502
Synonyms:3-(1,1-dioxo-1,2-thiazinan-2-yl)-5-(ethylamino)-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]benzamide | BMCL181022 Compound 7 | BMCL193664 Compound 24 | BMCL193664 Compound 9 | BMCL193669 Compound 8 | sultam hydroxyethylamine (HEA) derivative, 1
TypeSmall organic molecule
Emp. Form.C31H37F3N4O4S
Mol. Mass.618.71
SMILESCCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCCS1(=O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Fluorescent Substrate
Name:Fluorescent Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:2030.30
Organism:n/a
Description:n/a
Residue:18
Sequence:
FAM-SEVNLDAEFK-TAMRA