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Ligand

NameCHEMBL1230331
Molecular formulaC9H13N2O8PS
IUPAC name[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Molecular weight340.243
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-3.0
Synonyms4145-46-4
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
4-Thiouridylic acid
4-thio-UMP
S4UMP
[ Show all ]
Inchi KeyCKTAUHRBDDXUDJ-XVFCMESISA-N
Inchi IDInChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
PubChem CID16655024
ChEMBLCHEMBL1230331
IUPHARN/A
BindingDB50341895
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44383P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
44384P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
44382P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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