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Target
Beta-secretase 1
Ligand
BDBM17786
Substrate
FS1 FRET Substrate
Meas. Tech.
BACE-1 Enzymatic Assay
pH
5.0000±n/a
Temperature
295.1500±n/a K
Ki
11±n/a nM
Citation
 Baxter, EW; Conway, KA; Kennis, L; Bischoff, F; Mercken, MH; Winter, HL; Reynolds, CH; Tounge, BA; Luo, C; Scott, MK; Huang, Y; Braeken, M; Pieters, SM; Berthelot, DJ; Masure, S; Bruinzeel, WD; Jordan, AD; Parker, MH; Boyd, RE; Qu, J; Alexander, RS; Brenneman, DE; Reitz, AB 2-Amino-3,4-dihydroquinazolines as Inhibitors of BACE-1 (beta-Site APP Cleaving Enzyme): Use of Structure Based Design to Convert a Micromolar Hit into a Nanomolar Lead. J Med Chem 50:4261-4 (2007) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
Aspartyl protease 2 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | ASP2 | Asp 2 | Beta-site amyloid precursor protein cleaving enzyme 1 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1) | Beta-secretase 1 | Beta-secretase (BACE) | BACE1_HUMAN | BACE1 | BACE | KIAA1149
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Human
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM17786
Synonyms:
(4S)-4-(2-amino-6-phenoxy-3,4-dihydroquinazolin-3-yl)-N,4-dicyclohexyl-N-methylbutanamide | 2-aminoquinazoline, 3a
Type:
Small organic molecule
Emp. Form.:
C31H42N4O2
Mol. Mass.:
502.33
SMILES:
CN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N1Cc2cc(Oc3ccccc3)ccc2N=C1N |r,c:38|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
FS1 FRET Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2858.98
Organism:
n/a
Description:
n/a
Residue:
24
Sequence:
HREEDANSEVNLDAEFKDACYLRH