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Ligand

NameCHEMBL387520
Molecular formulaC15H22N2O17P2S
IUPAC name(2S,3S,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular weight596.346
Hydrogen bond acceptor18
Hydrogen bond donor9
XlogP-5.8
SynonymsBDBM50209667
diphosphoric acid 1-alpha-D-glucopyranosuronic acid 2-((2''-thio)uridin-5''''-yl)ester
Inchi KeyPIVUDWGDQYQGRN-LXQIFKJMSA-N
Inchi IDInChI=1S/C15H22N2O17P2S/c18-5-1-2-17(15(37)16-5)12-9(22)6(19)4(31-12)3-30-35(26,27)34-36(28,29)33-14-10(23)7(20)8(21)11(32-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,26,27)(H,28,29)(H,16,18,37)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
PubChem CID44422899
ChEMBLCHEMBL387520
IUPHARN/A
BindingDB50209667
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
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GLASS IDNameUniProtGeneSpeciesLength
260832P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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