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Ligand

NameCHEMBL3261379
Molecular formulaC27H37N5O23P4
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-(3-phenylpropoxyamino)pyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight923.5
Hydrogen bond acceptor23
Hydrogen bond donor10
XlogP-6.7
SynonymsBDBM50013030
Inchi KeyFNDQFKHGGXLPEC-MQCKZRQRSA-N
Inchi IDInChI=1S/C27H37N5O23P4/c33-19-9-11-32(27(39)29-19)25-23(37)21(35)17(52-25)14-50-57(42,43)54-59(46,47)55-58(44,45)53-56(40,41)49-13-16-20(34)22(36)24(51-16)31-10-8-18(28-26(31)38)30-48-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,16-17,20-25,34-37H,4,7,12-14H2,(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,28,30,38)(H,29,33,39)/t16-,17-,20-,21-,22-,23-,24-,25-/m1/s1
PubChem CID90656231
ChEMBLCHEMBL3261379
IUPHARN/A
BindingDB50013030
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
82496P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
82497P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
82498P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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