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Ligand

NameCHEMBL2364563
Molecular formulaC14H21N6O13P3-4
IUPAC name[[[(2R,3S,4R,5R)-5-[6-amino-8-(butylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
Molecular weight574.272
Hydrogen bond acceptor18
Hydrogen bond donor4
XlogP-4.5
SynonymsBDBM50422300
Inchi KeyABFFRCQYGNYPRH-QYVSTXNMSA-J
Inchi IDInChI=1S/C14H25N6O13P3/c1-2-3-4-16-14-19-8-11(15)17-6-18-12(8)20(14)13-10(22)9(21)7(31-13)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h6-7,9-10,13,21-22H,2-5H2,1H3,(H,16,19)(H,26,27)(H,28,29)(H2,15,17,18)(H2,23,24,25)/p-4/t7-,9-,10-,13-/m1/s1
PubChem CID91900189
ChEMBLN/A
IUPHARN/A
BindingDB50422300
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
792P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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