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Ligand

NameCHEMBL54116
Molecular formulaC11H17N5O9P2
IUPAC name[2-[6-(methylamino)purin-9-yl]-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight425.231
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-3.0
SynonymsBDBM50062291
Phosphoric acid mono-[2-(6-methylamino-purin-9-yl)-5-phosphonooxymethyl-tetrahydro-furan-3-yl] ester
Inchi KeyIZSBZSQDVKIOPM-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H17N5O9P2/c1-12-9-8-10(14-4-13-9)16(5-15-8)11-7(25-27(20,21)22)2-6(24-11)3-23-26(17,18)19/h4-7,11H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)
PubChem CID44299183
ChEMBLCHEMBL54116
IUPHARN/A
BindingDB50062291
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
145547P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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