Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-secretase 1
LigandBDBM50129292
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1523398
pH5±n/a
Ki 100±n/a nM
Commentsextracted
Citation Boy KMGuernon JMWu YJZhang YShi JZhai WZhu SGerritz SWToyn JHMeredith JEBarten DMBurton CRAlbright CFGood ACGrace JELentz KAOlson REMacor JEThompson LA Macrocyclic prolinyl acyl guanidines as inhibitors of฿-secretase (BACE). Bioorg Med Chem Lett 25:5040-7 (2015) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase (BACE)
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:
BDBM50129292
n/a
NameBDBM50129292
Synonyms:CHEMBL3628122
TypeSmall organic molecule
Emp. Form.C22H23Cl2N5O2
Mol. Mass.460.356
SMILESCC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2C3CC3CN2c2ccccc2)cc1Cl
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: