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Ligand

NameCHEMBL1765120
Molecular formulaC15H19BrN3O14P3
IUPAC name[[[(2R,3S,4R,5R)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-phenylphosphonamidic acid
Molecular weight638.149
Hydrogen bond acceptor15
Hydrogen bond donor7
XlogP-2.3
Synonyms5-Bromo-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-dione 5''-(gamma-phenylamino)triphosphate
BDBM50341902
Inchi KeyBECOTGWWMSOOEA-HKUMRIAESA-N
Inchi IDInChI=1S/C15H19BrN3O14P3/c16-9-6-19(15(23)17-13(9)22)14-12(21)11(20)10(31-14)7-30-35(26,27)33-36(28,29)32-34(24,25)18-8-4-2-1-3-5-8/h1-6,10-12,14,20-21H,7H2,(H,26,27)(H,28,29)(H,17,22,23)(H2,18,24,25)/t10-,11-,12-,14-/m1/s1
PubChem CID52952183
ChEMBLCHEMBL1765120
IUPHARN/A
BindingDB50341902
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
21439P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
21440P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
21438P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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