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Ligand

NameCHEMBL1767421
Molecular formulaC17H21N2O8PS
IUPAC name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
Molecular weight444.395
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP0.1
Synonyms2-Phenylethylthio-1-beta-D-ribofuranosylpyrimidine-4-one-5''-monophosphate
BDBM50341891
Inchi KeyDKLOPLNHUFXHPV-DTZQCDIJSA-N
Inchi IDInChI=1S/C17H21N2O8PS/c20-13-6-8-19(17(18-13)29-9-7-11-4-2-1-3-5-11)16-15(22)14(21)12(27-16)10-26-28(23,24)25/h1-6,8,12,14-16,21-22H,7,9-10H2,(H2,23,24,25)/t12-,14-,15-,16-/m1/s1
PubChem CID52952494
ChEMBLCHEMBL1767421
IUPHARN/A
BindingDB50341891
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
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GLASS IDNameUniProtGeneSpeciesLength
62391P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
62392P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
62393P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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