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TargetBeta-secretase 1
LigandBDBM50324926
Substrate/Competitorn/a
Meas. Tech.ChEMBL_651539
IC50 8900±n/a nM
Citation Madden JDod JRGodemann RKraemer JSmith MBiniszkiewicz MHallett DJBarker JDyekjaer JDHesterkamp T Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg Med Chem Lett 20:5329-33 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase 1
Synonyms:Aspartyl protease 2 | BACE1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site amyloid precursor protein cleaving enzyme 1 | Memapsin-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
CCLRCLRQQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50324926
NameBDBM50324926
Synonyms:(S)-3-(2-Amino-5-chloro-benzoimidazol-1-yl)-pentanoic acid adamantan-2-ylamide | CHEMBL1222300
TypeSmall organic molecule
Emp. Form.C22H29ClN4O
Mol. Mass.400.945
SMILESCC[C@@H](CC(=O)NC1C2CC3CC(C2)CC1C3)n1c(N)nc2cc(Cl)ccc12 |r,wU:2.19,TLB:16:15:13:9.10.11,6:7:9.16.10:14.12.13,THB:16:10:7.15.14:13,11:10:7:14.12.13,11:12:7:9.16.10,6:7:13:9.10.11,(3.24,-6.55,;4.57,-5.76,;5.9,-6.53,;7.23,-5.74,;8.57,-6.5,;8.58,-8.04,;9.9,-5.72,;11.24,-6.48,;12.43,-5.2,;13.76,-5.68,;15.16,-5.34,;15.17,-3.81,;13.77,-3.24,;12.43,-3.71,;12.73,-4.46,;12.74,-6.06,;14.14,-6.61,;5.92,-8.07,;6.83,-9.32,;8.37,-9.32,;5.92,-10.58,;4.44,-10.1,;3.11,-10.87,;1.78,-10.1,;.44,-10.87,;1.78,-8.56,;3.11,-7.78,;4.44,-8.55,)|
Structure
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