Target
Beta-secretase 1
Ligand
BDBM220840
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
pH
4.2±n/a
IC50
3.1±n/a nM
Comments
extracted
Citation
 White, RCheng, YMinatti, AEYang, BZheng, XMLopez, PHuman, JBEpstein, OJudd, TSham, KXue, Q Amino-oxazine and amino-dihydrothiazine compounds as beta-secretase modulators and methods of use US Patent  US9296759 Publication Date 3/29/2016 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | 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:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM220840
Synonyms:
US9296759, 104
Type:
Small organic molecule
Emp. Form.:
C26H24N6O4S
Mol. Mass.:
516.572
SMILES:
COc1cnc(cn1)C(=O)Nc1ccc2Oc3cnc(cc3C3(CCSC(N)=N3)c2c1)C1=CCCOC1 |c:29,t:36|
Structure:
Search PDB for entries with ligand similarity: