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Ligand

NameCHEMBL385488
Molecular formulaC17H21N2O16P3
IUPAC name[[(2R,3S,4R,5R)-5-(2,4-dioxo-3-phenacylpyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Molecular weight602.274
Hydrogen bond acceptor16
Hydrogen bond donor6
XlogP-4.5
Synonyms3-phenacyl-1-beta-D-ribofuranosylpyrimidine-2,4-dione 5''-triphosphate
BDBM50199177
Inchi KeyBTNPGBJHKRUBLX-DTZQCDIJSA-N
Inchi IDInChI=1S/C17H21N2O16P3/c20-11(10-4-2-1-3-5-10)8-19-13(21)6-7-18(17(19)24)16-15(23)14(22)12(33-16)9-32-37(28,29)35-38(30,31)34-36(25,26)27/h1-7,12,14-16,22-23H,8-9H2,(H,28,29)(H,30,31)(H2,25,26,27)/t12-,14-,15-,16-/m1/s1
PubChem CID11994007
ChEMBLCHEMBL385488
IUPHARN/A
BindingDB50199177
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
32485P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
32487P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
32486P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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