Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase (BACE)
LigandBDBM29756
Substrate/Competitorn/a
Meas. Tech.ChEMBL_462057
IC50 40±n/a nM
Citation Clarke BDemont EDingwall CDunsdon RFaller AHawkins JHussain IMacPherson DMaile GMatico RMilner PMosley JNaylor AO'Brien ARedshaw SRiddell DRowland PSoleil VSmith KJStanway SStemp GSweitzer STheobald PVesey DWalter DSWard JWayne G BACE-1 inhibitors part 2: identification of hydroxy ethylamines (HEAs) with reduced peptidic character. Bioorg Med Chem Lett 18:1017-21 (2008) [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:
BDBM29756
NameBDBM29756
Synonyms:CHEMBL403429 | hydroxyethylamine derivative, 6
TypeSmall organic molecule
Emp. Form.C31H35F3N4O3
Mol. Mass.568.6298
SMILESCCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCC1=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a