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Ligand

NameCHEMBL2368314
Molecular formulaC12H19N5O9P2S
IUPAC name[(2R,3S,5R)-5-[6-(methylamino)-2-methylsulfanylpurin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight471.318
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-1.4
SynonymsMRS-2217
Inchi KeyLNUFPAGVJSFPHP-XLPZGREQSA-N
Inchi IDInChI=1S/C12H19N5O9P2S/c1-13-10-9-11(16-12(15-10)29-2)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,3-4H2,1-2H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)/t6-,7+,8+/m0/s1
PubChem CID10743016
ChEMBLCHEMBL2368314
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
192045P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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