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Ligand

NameCHEMBL3261361
Molecular formulaC17H24N3O16P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(2-phenoxyethoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight619.305
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-3.3
SynonymsBDBM50012955
Inchi KeyAXEDFADFROXMCZ-DTZQCDIJSA-N
Inchi IDInChI=1S/C17H24N3O16P3/c21-14-12(10-33-38(27,28)36-39(29,30)35-37(24,25)26)34-16(15(14)22)20-7-6-13(18-17(20)23)19-32-9-8-31-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1
PubChem CID90656212
ChEMBLCHEMBL3261361
IUPHARN/A
BindingDB50012955
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16608P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
16610P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
16609P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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