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Ligand

NameCHEMBL3144309
Molecular formulaC13H21N5O9P2S
IUPAC name[(2R,3S,5R)-5-[2-ethylsulfanyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight485.345
Hydrogen bond acceptor14
Hydrogen bond donor5
XlogP-1.0
SynonymsN-Methyl-2-(ethylthio)-2'-deoxyadenosine 3',5'-bisphosphoric acid
Inchi KeyDZGOMQYNNHDHEU-DJLDLDEBSA-N
Inchi IDInChI=1S/C13H21N5O9P2S/c1-3-30-13-16-11(14-2)10-12(17-13)18(6-15-10)9-4-7(27-29(22,23)24)8(26-9)5-25-28(19,20)21/h6-9H,3-5H2,1-2H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)/t7-,8+,9+/m0/s1
PubChem CID10696246
ChEMBLCHEMBL3144309
IUPHARN/A
BindingDBN/A
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
72628P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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