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Ligand

NameCHEMBL1765119
Molecular formulaC10H15F2N2O13P3S
IUPAC name[[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
Molecular weight534.209
Hydrogen bond acceptor16
Hydrogen bond donor7
XlogP-4.6
SynonymsBDBM50341901
ZINC71296342
({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}difluoromethyl)phosphonic acid
D0P4GP
PSB-1114
[ Show all ]
Inchi KeyDFGBPSGNGNHNQM-XVFCMESISA-N
Inchi IDInChI=1S/C10H15F2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(15)7(16)8(26-4)14-2-1-5(31)13-9(14)17/h1-2,4,6-8,15-16H,3H2,(H,21,22)(H,23,24)(H,13,17,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
PubChem CID52952605
ChEMBLCHEMBL1765119
IUPHAR5902
BindingDB50341901
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
58526P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
58527P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
58528P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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