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Ligand

NameCHEMBL590527
Molecular formulaC12H20N5O12P3S
IUPAC name[[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
Molecular weight551.296
Hydrogen bond acceptor17
Hydrogen bond donor7
XlogP-5.0
Synonyms2-(Methylthio)adenosine 5'-[beta,gamma-methylene]triphosphoric acid
Inchi KeyDSYSALVZZZNDFY-IOSLPCCCSA-N
Inchi IDInChI=1S/C12H20N5O12P3S/c1-33-12-15-9(13)6-10(16-12)17(3-14-6)11-8(19)7(18)5(28-11)2-27-32(25,26)29-31(23,24)4-30(20,21)22/h3,5,7-8,11,18-19H,2,4H2,1H3,(H,23,24)(H,25,26)(H2,13,15,16)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1
PubChem CID10482694
ChEMBLCHEMBL590527
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.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
68101P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
68102P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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