Target
Isoform D of Beta-secretase 1 (BACE-I-432)
Ligand
BDBM223360
Substrate
n/a
Meas. Tech.
BACE1 Cell-Free Assay
pH
4.5±n/a
Temperature
310.15±n/a K
IC50
101±n/a nM
Comments
extracted
Citation
 Brodney, MABeck, EMButler, CRZhang, LO'Neill, BTBarreiro, GLaChapelle, EARogers, BN 2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl-1,3-thiazol-4-yl amides US Patent  US9315520 Publication Date 4/19/2016 
Target
Name:
Isoform D of Beta-secretase 1 (BACE-I-432)
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE-I-432) | Beta-secretase 1 (BACE1) | KIAA1149
Type:
Protein
Mol. Mass.:
48152.67
Organism:
Homo sapiens (Human)
Description:
P56817-4
Residue:
432
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM223360
Synonyms:
US9315520, 47 | US9605007, Example 47 | US9744173, Example 47
Type:
Small organic molecule
Emp. Form.:
C19H23N5O3S2
Mol. Mass.:
433.548
SMILES:
COc1cnc(C(=O)Nc2csc(n2)[C@]23CO[C@@H](C)C[C@H]2CSC(N)=N3)c(C)c1 |r,c:26|
Structure:
Search PDB for entries with ligand similarity: