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Ligand

NameCHEMBL1199751
Molecular formulaC16H20N2O11P2S
IUPAC name[(2R,3S,4R,5R)-5-(4-benzylsulfanyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
Molecular weight510.347
Hydrogen bond acceptor12
Hydrogen bond donor5
XlogP-1.5
SynonymsBDBM50194156
(2R,3R,4S,5R)-4-(benzylthio)-1-(3,4-dihydroxy-5-(diphosphoryloxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one ammonium salt
Inchi KeyGAKNKVDNBJHLIH-NMFUWQPSSA-N
Inchi IDInChI=1S/C16H20N2O11P2S/c19-13-11(8-27-31(25,26)29-30(22,23)24)28-15(14(13)20)18-7-6-12(17-16(18)21)32-9-10-4-2-1-3-5-10/h1-7,11,13-15,19-20H,8-9H2,(H,25,26)(H2,22,23,24)/t11-,13-,14-,15-/m1/s1
PubChem CID16082715
ChEMBLN/A
IUPHARN/A
BindingDB50194156
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
91695P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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