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Ligand

NameCHEMBL1162198
Molecular formulaC18H27N5O22P4
IUPAC name[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight789.322
Hydrogen bond acceptor22
Hydrogen bond donor10
XlogP-9.4
SynonymsBDBM50371610
Inchi KeyARJZTLPNENVQJG-VNICIZSUSA-N
Inchi IDInChI=1S/C18H27N5O22P4/c19-9-1-3-22(17(29)20-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)23-4-2-10(24)21-18(23)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H2,19,20,29)(H,21,24,30)/t7-,8+,11-,12+,13-,14+,15-,16+/m1/s1
PubChem CID44457414
ChEMBLCHEMBL1162198
IUPHARN/A
BindingDB50371610
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
12537P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
12536P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
12535P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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