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Ligand

NameCHEMBL2113401
Molecular formulaC18H27N4O26P5
IUPAC name[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight870.285
Hydrogen bond acceptor26
Hydrogen bond donor11
XlogP-10.2
SynonymsBDBM50403872
Inchi KeyDTPUCAAWIZAYGN-WWMDGMSNSA-N
Inchi IDInChI=1S/C18H27N4O26P5/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(43-15)5-41-49(31,32)45-51(35,36)47-53(39,40)48-52(37,38)46-50(33,34)42-6-8-12(26)14(28)16(44-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,19,23,29)(H,20,24,30)/t7-,8+,11-,12+,13-,14+,15-,16+
PubChem CID71459957
ChEMBLCHEMBL2113401
IUPHARN/A
BindingDB50403872
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
68554P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
68552P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
68553P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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