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Ligand

NameCHEMBL3261365
Molecular formulaC18H25IN3O15P3
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-[3-(3-iodophenyl)propoxyamino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight743.23
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP-3.1
SynonymsBDBM50012974
Inchi KeyBSXYCTKWYPJKSC-MWQQHZPXSA-N
Inchi IDInChI=1S/C18H25IN3O15P3/c19-12-5-1-3-11(9-12)4-2-8-33-21-14-6-7-22(18(25)20-14)17-16(24)15(23)13(35-17)10-34-39(29,30)37-40(31,32)36-38(26,27)28/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t13-,15-,16-,17-/m1/s1
PubChem CID90656216
ChEMBLCHEMBL3261365
IUPHARN/A
BindingDB50012974
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
32087P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
32086P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
32088P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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