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Ligand

NameAC1NBNI5
Molecular formulaC10H13N5O9P2
IUPAC name[4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate
Molecular weight409.188
Hydrogen bond acceptor13
Hydrogen bond donor4
XlogP-3.7
SynonymsPhosphoric acid mono-[6-(6-amino-purin-9-yl)-2-hydroxy-2-oxo-tetrahydro-2lambda*5*-furo[3,4-d][1,3,2]dioxaphosphol-4-ylmethyl] ester
BDBM50062280
[4-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl dihydrogen phosphate
CHEMBL55718
Inchi KeyHJMBCNJTGVMDOA-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)
PubChem CID4470795
ChEMBLN/A
IUPHARN/A
BindingDB50062280
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
520186P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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