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Ligand

NameCHEMBL165225
Molecular formulaC11H17N5O8P2
IUPAC name[(1R,2R,4R)-4-(6-aminopurin-9-yl)-2-phosphonooxycyclopentyl]methyl dihydrogen phosphate
Molecular weight409.232
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-3.1
SynonymsBDBM50085313
Phosphoric acid mono-[4-(6-amino-purin-9-yl)-2-phosphonooxy-cyclopentyl] ester
Phosphoric acid mono-[4-(6-amino-purin-9-ylmethyl)-2-phosphonooxymethyl-cyclopentyl] ester
Inchi KeyHELWDBMFSLVIHL-BWZBUEFSSA-N
Inchi IDInChI=1S/C11H17N5O8P2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-23-25(17,18)19)8(2-7)24-26(20,21)22/h4-8H,1-3H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7-,8-/m1/s1
PubChem CID44377437
ChEMBLCHEMBL165225
IUPHARN/A
BindingDB50085313
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
112892P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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