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Ligand

NameCHEMBL1765117
Molecular formulaC10H15F2N2O14P3
IUPAC name[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
Molecular weight518.148
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-5.2
SynonymsBDBM50341899
Uridine 5'-[difluoro[beta,gamma-methylene]triphosphoric acid]
(((((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryl)difluoromethylphosphonic acid
Inchi KeyGMYHHUUHBVBEKO-XVFCMESISA-N
Inchi IDInChI=1S/C10H15F2N2O14P3/c11-10(12,29(19,20)21)30(22,23)28-31(24,25)26-3-4-6(16)7(17)8(27-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,24,25)(H,13,15,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1
PubChem CID11606036
ChEMBLCHEMBL1765117
IUPHARN/A
BindingDB50341899
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
100340P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
100341P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
100342P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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