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Ligand

NameCHEMBL1162183
Molecular formulaC26H33N5O22P4
IUPAC name[[(3aR,4R,6R,6aR)-4-(4-amino-2-oxopyrimidin-1-yl)-2-benzyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-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 weight891.458
Hydrogen bond acceptor22
Hydrogen bond donor8
XlogP-6.5
SynonymsBDBM50371606
Inchi KeyBIIIPCSFHJHATR-LAJHJGSGSA-N
Inchi IDInChI=1S/C26H33N5O22P4/c27-16-6-8-31(25(35)28-16)24-22-21(49-18(50-22)10-13-4-2-1-3-5-13)15(48-24)12-46-55(39,40)52-57(43,44)53-56(41,42)51-54(37,38)45-11-14-19(33)20(34)23(47-14)30-9-7-17(32)29-26(30)36/h1-9,14-15,18-24,33-34H,10-12H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,27,28,35)(H,29,32,36)/t14-,15+,18?,19-,20-,21+,22+,23-,24+/m0/s1
PubChem CID44457347
ChEMBLCHEMBL1162183
IUPHARN/A
BindingDB50371606
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24478P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
24479P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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