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Ligand

NameCHEMBL439378
Molecular formulaC16H28N2O16P2S
IUPAC name[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methylsulfanyl-2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
Molecular weight598.406
Hydrogen bond acceptor17
Hydrogen bond donor9
XlogP-5.5
SynonymsBDBM50209664
diphosphoric acid 1-alpha-D-glucopyranosyl ester 2-((4''-methylthio)uridin-5''''-yl) ester
Inchi KeyAHJZJKHBHBHIPP-DKBMREHESA-N
Inchi IDInChI=1S/C16H28N2O16P2S/c1-37-8-2-3-18(16(25)17-8)14-12(23)10(21)7(31-14)5-30-35(26,27)34-36(28,29)33-15-13(24)11(22)9(20)6(4-19)32-15/h2-3,6-15,19-24H,4-5H2,1H3,(H,17,25)(H,26,27)(H,28,29)/t6-,7-,8?,9-,10-,11+,12-,13-,14-,15-/m1/s1
PubChem CID44422868
ChEMBLCHEMBL439378
IUPHARN/A
BindingDB50209664
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5640P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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