Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-amino-4-[5-[6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-oxo-2H-1,3,5-triazin-1-yl]pentyl-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]amino]butanoic acid
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 PubChem ID
CID: 156564577
Canonical SMILES
NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](CO)O2)CN1CCCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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Compound Formula C27H43N11O9
Compound Structure
Protein Name
 Protein Info 
DNA (cytosine-5)-methyltransferase 1
Protein Classification
Epigenetic regulator
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DNA methyltransferase
Uniprot ID
P26358
Gene Name
DNMT1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 19600 nM
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