Ligand Id: 1711
Ligand name 2MeSATP

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 9
Topological polar surface area 333.86
Molecular weight 552.98
XLogP -5.14
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
IUPAC Name
[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Synonyms
2-MeSATP
2-methylthio-adenosine-5'-triphosphate
2-methylthio-ATP
[(2R,3S,4R)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy ​-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hy​drogen phosphate
Database Links
ChEMBL Ligand 202430, 317942
PubChem CID 107986
Search on ChemSpider XNOBOKJVOTYSJV-KQYNXXCUSA-N
ZINC ZINC17654543, ZINC49771779
iPHACE 0F3FH2L3

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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