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Ligand

NameCHEMBL3261371
Molecular formulaC17H25N4O15P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-pyridin-4-ylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight618.321
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-4.8
SynonymsBDBM50013009
Inchi KeyGDYLVBZFJDZQBP-DTZQCDIJSA-N
Inchi IDInChI=1S/C17H25N4O15P3/c22-14-12(10-33-38(28,29)36-39(30,31)35-37(25,26)27)34-16(15(14)23)21-8-5-13(19-17(21)24)20-32-9-1-2-11-3-6-18-7-4-11/h3-8,12,14-16,22-23H,1-2,9-10H2,(H,28,29)(H,30,31)(H,19,20,24)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1
PubChem CID90656222
ChEMBLCHEMBL3261371
IUPHARN/A
BindingDB50013009
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
94099P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
94098P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
94100P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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