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Ligand

NameCHEMBL3144483
Molecular formulaC11H16N4O9P2S
IUPAC name[(2R,3S,5R)-5-(6-methylsulfanylpurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight442.276
Hydrogen bond acceptor13
Hydrogen bond donor4
XlogP-1.9
Synonyms6-(Methylthio)-9-(3-O,5-O-diphosphono-2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purine
Inchi KeyMBNHRZOEDIGOLA-XLPZGREQSA-N
Inchi IDInChI=1S/C11H16N4O9P2S/c1-27-11-9-10(12-4-13-11)15(5-14-9)8-2-6(24-26(19,20)21)7(23-8)3-22-25(16,17)18/h4-8H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1
PubChem CID10551168
ChEMBLCHEMBL3144483
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
201491P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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