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Ligand

NameCHEMBL3706406
Molecular formulaC12H20N6O8P2
IUPAC name[(1R,2S,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
SynonymsN'-Methyl-9-[3alpha-(phosphonooxy)-4beta-[(phosphonooxy)methyl]cyclopentane-1beta-yl]-9H-purine-2,6-diamine
Inchi KeyIHQMVABLPLRMMJ-PRJMDXOYSA-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 CID10625389
ChEMBLCHEMBL3706406
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
479343P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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