Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 1
LigandBDBM15789
Substrate/CompetitorBACE-1 Peptide Substrate
Meas. Tech.BACE-1 Inhibition Assay
pH5±n/a
Temperature295.15±n/a K
IC50>1000000±n/a nM
Citation Murray, CWCallaghan, OChessari, GCleasby, ACongreve, MFrederickson, MHartshorn, MJMcMenamin, RPatel, SWallis, N Application of fragment screening by X-ray crystallography to beta-secretase. J Med Chem50:1116-23 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  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.: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:
BDBM15789
NameBDBM15789
Synonyms:(2S)-1-(2,5-dimethylphenoxy)-3-(morpholin-4-yl)propan-2-ol | aliphatic hydroxyl fragment 5 | fragment 5
TypeSmall organic molecule
Emp. Form.C15H23NO3
Mol. Mass.265.348
SMILESCc1ccc(C)c(OC[C@@H](O)CN2CCOCC2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
BACE-1 Peptide Substrate
Name:BACE-1 Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:2721.34
Organism:n/a
Description:n/a
Residue:23
Sequence:
R-E(EDANS)-E-V-N-L-*D-A-E-F-K(DABCYL)-R-OH