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Ligand

NameCHEMBL610985
Molecular formulaC18H21N6O9PS
IUPAC name[5-[6-amino-2-[2-(4-nitrophenyl)ethylsulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular weight528.433
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-0.9
SynonymsBDBM50369450
Inchi KeyFNLQRMZCHRPOBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21N6O9PS/c19-15-12-16(22-18(21-15)35-6-5-9-1-3-10(4-2-9)24(27)28)23(8-20-12)17-14(26)13(25)11(33-17)7-32-34(29,30)31/h1-4,8,11,13-14,17,25-26H,5-7H2,(H2,19,21,22)(H2,29,30,31)
PubChem CID44346602
ChEMBLN/A
IUPHARN/A
BindingDB50369450
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
559865P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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