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Ligand

NameCHEMBL288798
Molecular formulaC11H16ClN5O9P2
IUPAC name[5-[2-chloro-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight459.673
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-1.3
SynonymsBDBM50076460
Phosphoric acid mono-[5-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester
Inchi KeyAWSMOXWWSLFSCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C11H16ClN5O9P2/c1-13-9-8-10(16-11(12)15-9)17(4-14-8)7-2-5(26-28(21,22)23)6(25-7)3-24-27(18,19)20/h4-7H,2-3H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
PubChem CID44289420
ChEMBLN/A
IUPHARN/A
BindingDB50076460
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16323P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
557737P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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