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Ligand

NamePoly(2'-methylthioadenylic acid)
Molecular formulaC11H16N5O7PS
IUPAC name[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Molecular weight393.311
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-2.7
Synonyms((2R,3S,4R,5R)-5-(6-Amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate)
2-(Methylthio)adenosine 5'-phosphoric acid
2-MeS-5'-AMP
2-MeSAMP
[ Show all ]
Inchi KeyXVTFTCNRRAQHEQ-KQYNXXCUSA-N
Inchi IDInChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID189762
ChEMBLCHEMBL606240
IUPHAR1764
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
512510P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
555284P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
555283P2Y purinoceptor 13Q9BPV8P2RY13Homo sapiens (Human)354

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