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TargetBeta-secretase 1
LigandBDBM50383845
Substrate/Competitorn/a
Meas. Tech.ChEMBL_819409
IC50 4±n/a nM
Citation Monenschein, HHorne, DBBartberger, MDHitchcock, SANguyen, TTPatel, VFPennington, LDZhong, W Structure guided P1' modifications of HEA derivedß-secretase inhibitors for the treatment of Alzheimer's disease. Bioorg Med Chem Lett22:3607-11 (2012) [PubMed]  Article
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:
BDBM50383845
NameBDBM50383845
Synonyms:CHEMBL2031141
TypeSmall organic molecule
Emp. Form.C29H40FN3O3
Mol. Mass.497.6446
SMILESC[C@H]1C[C@@]2(C1)C[C@H](NC[C@@H](O)[C@H](Cc1ccc(F)cc1)NC(C)=O)c1cc(CC(C)(C)C)cnc1O2 |r,wU:6.7,wD:9.10,11.21,3.2,1.0,(16.09,-18.99,;15,-20.08,;13.46,-20.08,;13.46,-21.62,;15,-21.62,;12.11,-20.86,;10.77,-21.64,;9.43,-20.87,;8.1,-21.65,;6.77,-20.88,;6.76,-19.34,;5.44,-21.66,;5.44,-23.2,;4.11,-23.97,;2.78,-23.21,;1.45,-23.98,;1.46,-25.52,;.13,-26.3,;2.8,-26.29,;4.13,-25.51,;4.1,-20.9,;4.09,-19.36,;2.76,-18.59,;5.42,-18.58,;10.78,-23.18,;9.46,-23.95,;9.45,-25.49,;8.12,-26.26,;8.12,-27.8,;6.78,-28.57,;9.45,-28.57,;8.1,-29.34,;10.79,-26.26,;12.12,-25.49,;12.12,-23.95,;13.45,-23.17,)|
Structure
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