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Ligand

Name2-MeSADP
Molecular formulaC11H17N5O10P2S
IUPAC name[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight473.29
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-3.8
Synonyms((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
(3H)2-Mes-ADP
2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate)
2-(Methylthio)-Adenosinediphosphate
[ Show all ]
Inchi KeyWLMZTKAZJUWXCB-KQYNXXCUSA-N
Inchi IDInChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
PubChem CID121990
ChEMBLCHEMBL435402
IUPHAR1710, 1763
BindingDB50118242
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
376368P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
376370P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362
376372P2Y purinoceptor 1P49651P2ry1Rattus norvegicus (Rat)373
555167P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342
555166P2Y purinoceptor 13Q9BPV8P2RY13Homo sapiens (Human)354
376373P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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