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Ligand

NameCHEMBL509434
Molecular formulaC18H27N5O20P4S
IUPAC name[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight789.384
Hydrogen bond acceptor21
Hydrogen bond donor9
XlogP-7.8
SynonymsBDBM50270554
P1-(2-thiouridine 5''-)-P4-(2''-deoxycytidine 5''-)tetraphosphate
Inchi KeyFYCRPTCGPHMUOQ-MIYUEGBISA-N
Inchi IDInChI=1S/C18H27N5O20P4S/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(39-13)6-37-44(29,30)41-46(33,34)43-47(35,36)42-45(31,32)38-7-10-14(26)15(27)16(40-10)23-4-2-12(25)21-18(23)48/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,19,20,28)(H,21,25,48)/t8-,9+,10+,13+,14+,15+,16+/m0/s1
PubChem CID24857827
ChEMBLCHEMBL509434
IUPHARN/A
BindingDB50270554
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
90105P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
90106P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
90104P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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