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Ligand

NameCHEMBL337062
Molecular formulaC18H25N6O13P3S
IUPAC name[[(2R,3S,4R,5R)-5-[6-amino-2-[2-(4-aminophenyl)ethylsulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight658.408
Hydrogen bond acceptor19
Hydrogen bond donor8
XlogP-3.6
SynonymsPAPET
PAPET-ATP
AC1NSJPT
SCHEMBL6514561
BDBM50118226
[ Show all ]
Inchi KeyIAEUEMYQURUPGA-LSCFUAHRSA-N
Inchi IDInChI=1S/C18H25N6O13P3S/c19-10-3-1-9(2-4-10)5-6-41-18-22-15(20)12-16(23-18)24(8-21-12)17-14(26)13(25)11(35-17)7-34-39(30,31)37-40(32,33)36-38(27,28)29/h1-4,8,11,13-14,17,25-26H,5-7,19H2,(H,30,31)(H,32,33)(H2,20,22,23)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
PubChem CID5310950
ChEMBLCHEMBL337062
IUPHARN/A
BindingDB50118226
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
128330P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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