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Ligand

NameCHEMBL3261373
Molecular formulaC14H22N3O15P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(pent-4-ynoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight565.257
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP-4.2
SynonymsBDBM50013011
Inchi KeyCYLHTYSEZSCXEN-OJAKKHQRSA-N
Inchi IDInChI=1S/C14H22N3O15P3/c1-2-3-4-7-28-16-10-5-6-17(14(20)15-10)13-12(19)11(18)9(30-13)8-29-34(24,25)32-35(26,27)31-33(21,22)23/h1,5-6,9,11-13,18-19H,3-4,7-8H2,(H,24,25)(H,26,27)(H,15,16,20)(H2,21,22,23)/t9-,11-,12-,13-/m1/s1
PubChem CID90656224
ChEMBLCHEMBL3261373
IUPHARN/A
BindingDB50013011
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
53629P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
53631P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
53630P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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