Once the protein structure is known, virtual screening is performed. This involves the use of computational tools and databases to identify potential small molecules that could bind to the active site of BACE1. These small molecules are also known as ligands or inhibitors.
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2-([1,1'-biphenyl]-4-yl)-N-(4-methoxybenzyl)acetamide
2-(4-isopropyl-3-methyl-phenoxy)-phenylamine
N-(2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl)methanesulfonamide
5-(3,4-dimethoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one
Hexanoic acid, 4-oxo-6-[[(phenylmethoxy)carbonyl]amino]-
(Z)-5-(4-benzyloxyphenyl)methylidene-2-thioxo-4-thiazolidinone
N-(2,4-dichlorobenzyl)evodiamine
Ethyl 3-broMo-4-cyanobenzoate
C10H13ClN2O3
Magnesium bromide
HCl
N-[4-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]-N'-phenylurea
2'-fluoro-4-nitro-biphenyl-2-carboxylic acid
