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Ligand

NameCHEMBL355406
Molecular formulaC12H20N6O8P2
IUPAC name[(1R,2R,4R)-4-[2-amino-6-(methylamino)purin-9-yl]-2-phosphonooxycyclopentyl]methyl dihydrogen phosphate
Molecular weight438.274
Hydrogen bond acceptor13
Hydrogen bond donor6
XlogP-2.8
SynonymsBDBM50085829
Phosphoric acid mono-[4-(2-amino-6-methylamino-purin-9-yl)-2-phosphonooxy-cyclopentyl] ester
Inchi KeyIHQMVABLPLRMMJ-BWZBUEFSSA-N
Inchi IDInChI=1S/C12H20N6O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)7-2-6(4-25-27(19,20)21)8(3-7)26-28(22,23)24/h5-8H,2-4H2,1H3,(H2,19,20,21)(H2,22,23,24)(H3,13,14,16,17)/t6-,7-,8-/m1/s1
PubChem CID44380922
ChEMBLCHEMBL355406
IUPHARN/A
BindingDB50085829
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.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
133482P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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