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Ligand

NameCHEMBL323457
Molecular formulaC11H16ClN5O8P2
IUPAC name[4-[2-chloro-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)but-2-enyl] dihydrogen phosphate
Molecular weight443.674
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.8
Synonyms2-Chloro-9-[3-(phosphonooxymethyl)-4-(phosphonooxy)-2-butenyl]-N-methyl-9H-purine-6-amine
BDBM50104018
Phosphoric acid mono-[4-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-but-2-enyl] ester
Inchi KeyHSEYIZMENQZQTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)3-2-7(4-24-26(18,19)20)5-25-27(21,22)23/h2,6H,3-5H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
PubChem CID10895531
ChEMBLCHEMBL323457
IUPHARN/A
BindingDB50104018
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
122706P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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