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Target
Beta-secretase 1
Ligand
BDBM279669
Substrate
n/a
Meas. Tech.
Inhibition of Human BACE-1
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
3700±n/a nM
Comments
extracted
Citation
Badiger, S; Chebrolu, M; Hurth, K; Jacquier, S; Lueoend, RM; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Heterocyclic derivatives and their use in the treatment of neurological disorders US Patent US10035794 Publication Date 7/31/2018
More Info.:
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:
BDBM279669
Synonyms:
5-{2-[(5-Chloro-4,6-dideutero-3-trideuteromethyl-pyridine-2-carbonyl)-amino]-pyridin-4-yl}-5-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl-ammonium acetate | US10035794, Example 13
Type:
Small organic molecule
Emp. Form.:
C17H17ClFN5O2
Mol. Mass.:
377.801
SMILES:
Cc1cc(Cl)cnc1C(=O)Nc1cc(ccn1)C1(CF)COCC(N)=N1 |c:26|