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Ligand

NameCHEMBL1199698
Molecular formulaC10H16N2O11P2S
IUPAC name[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-methylsulfanyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight434.249
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-3.0
SynonymsBDBM50194164
(2R,3R,4S,5R)-1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)-tetrahydrofuran-2-yl)-4-(methylthio)pyrimidin-2(1H)-one ammonium salt
Inchi KeyCHRZEXOIDHTZGQ-ZOQUXTDFSA-N
Inchi IDInChI=1S/C10H16N2O11P2S/c1-26-6-2-3-12(10(15)11-6)9-8(14)7(13)5(22-9)4-21-25(19,20)23-24(16,17)18/h2-3,5,7-9,13-14H,4H2,1H3,(H,19,20)(H2,16,17,18)/t5-,7-,8-,9-/m1/s1
PubChem CID16082737
ChEMBLN/A
IUPHARN/A
BindingDB50194164
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
42246P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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