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Ligand

NameCHEMBL1097652
Molecular formulaC18H20N5O13P3
IUPAC name[[(2R,3S,4R,5R)-5-[6-amino-2-(2-phenylethynyl)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight607.301
Hydrogen bond acceptor17
Hydrogen bond donor7
XlogP-3.7
SynonymsBDBM50318027
ZINC49771868
((2R,3S,4R,5R)-5-(6-amino-2-(phenylethynyl)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltriphosphate tetraammonium salt
CHEMBL1199140
Inchi KeyNQKWOKYIYHENJD-XKLVTHTNSA-N
Inchi IDInChI=1S/C18H20N5O13P3/c19-16-13-17(22-12(21-16)7-6-10-4-2-1-3-5-10)23(9-20-13)18-15(25)14(24)11(34-18)8-33-38(29,30)36-39(31,32)35-37(26,27)28/h1-5,9,11,14-15,18,24-25H,8H2,(H,29,30)(H,31,32)(H2,19,21,22)(H2,26,27,28)/t11-,14-,15-,18-/m1/s1
PubChem CID11433866
ChEMBLN/A
IUPHARN/A
BindingDB50318027
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
229594Uracil nucleotide/cysteinyl leukotriene receptorQ13304GPR17Homo sapiens (Human)367

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