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Ligand

NameCHEMBL129841
Molecular formulaC11H17N5O9P2
IUPAC name[(2R,3S,5R)-5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Molecular weight425.231
Hydrogen bond acceptor13
Hydrogen bond donor5
XlogP-2.9
SynonymsMRS 2179
CHEMBL1096400
101204-49-3
AC1NSKEB
MRS 2179 ammonium salt
[ Show all ]
Inchi KeyCCPLITQNIFLYQB-XLPZGREQSA-N
Inchi IDInChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/t6-,7+,8+/m0/s1
PubChem CID5311303
ChEMBLCHEMBL129841
IUPHARN/A
BindingDB50318029, 50118229
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38811P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
38812P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
38815P2Y purinoceptor 12Q9EPX4P2ry12Rattus norvegicus (Rat)343
38813P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
38814P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
38816P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328
38817Uracil nucleotide/cysteinyl leukotriene receptorQ13304GPR17Homo sapiens (Human)367

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