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Ligand

NameCHEMBL3220050
Molecular formulaC16H20N4O14P2
IUPAC name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-[(4-nitrophenyl)methoxyamino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight554.298
Hydrogen bond acceptor14
Hydrogen bond donor6
XlogP-3.6
SynonymsN/A
Inchi KeyHFBYGNURQMHJFJ-NMFUWQPSSA-N
Inchi IDInChI=1S/C16H20N4O14P2/c21-13-11(8-32-36(29,30)34-35(26,27)28)33-15(14(13)22)19-6-5-12(17-16(19)23)18-31-7-9-1-3-10(4-2-9)20(24)25/h1-6,11,13-15,21-22H,7-8H2,(H,29,30)(H,17,18,23)(H2,26,27,28)/t11-,13-,14-,15-/m1/s1
PubChem CID90666793
ChEMBLCHEMBL3220050
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
113310P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
113312P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
113311P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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