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Ligand

NameCHEMBL1765118
Molecular formulaC18H21F2N2O15P3
IUPAC name[[[[(2R,3S,4R,5R)-5-(2,4-dioxo-3-phenacylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
Molecular weight636.283
Hydrogen bond acceptor17
Hydrogen bond donor6
XlogP-3.9
Synonyms3-Phenacyl-5''-uridylic Acid(1,1-Difluoro-1-phosphonomethyl-1-phosphonyl)anhydride
BDBM50341900
Inchi KeyCSVGAEIOFXFKIT-DTZQCDIJSA-N
Inchi IDInChI=1S/C18H21F2N2O15P3/c19-18(20,38(28,29)30)39(31,32)37-40(33,34)35-9-12-14(25)15(26)16(36-12)21-7-6-13(24)22(17(21)27)8-11(23)10-4-2-1-3-5-10/h1-7,12,14-16,25-26H,8-9H2,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15-,16-/m1/s1
PubChem CID52952604
ChEMBLCHEMBL1765118
IUPHARN/A
BindingDB50341900
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
49772P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
49773P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
49771P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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