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Ligand

NameCHEMBL3634182
Molecular formulaC11H17N5O9P2S2
IUPAC name[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl] dihydrogen phosphate
Molecular weight489.351
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-2.0
SynonymsBDBM50131064
J3.552.683H
2-(Methylthio)-5'-O-[(phosphonooxy)hydroxythiophophinyl]adenosine
Inchi KeySNYCUVYLIGMAED-QGPPJTFUSA-N
Inchi IDInChI=1S/C11H17N5O9P2S2/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(24-10)2-23-27(22,28)25-26(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,28)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-,27?/m1/s1
PubChem CID122195891
ChEMBLCHEMBL3634182
IUPHARN/A
BindingDB50131064
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
502311P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
502310P2Y purinoceptor 11Q96G91P2RY11Homo sapiens (Human)374

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