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Ligand

NameCHEMBL3814440
Molecular formulaC31H36NO11P
IUPAC name(2S)-2-amino-3-[hydroxy-[(2R,3R)-2-[3-[4-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxymethyl]oxan-3-yl]oxyphosphoryl]oxypropanoic acid
Molecular weight629.599
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP0.6
SynonymsBDBM50177134
Inchi KeyGMANHEODTFBTTG-ZGIBFIJWSA-N
Inchi IDInChI=1S/C31H36NO11P/c32-27(31(34)35)20-41-44(36,37)43-28-10-5-17-38-29(28)21-40-30(33)16-13-22-11-14-24(15-12-22)39-19-23-6-4-9-26(18-23)42-25-7-2-1-3-8-25/h1-4,6-9,11-12,14-15,18,27-29H,5,10,13,16-17,19-21,32H2,(H,34,35)(H,36,37)/t27-,28+,29+/m0/s1
PubChem CID127050878
ChEMBLCHEMBL3814440
IUPHARN/A
BindingDBN/A
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
524436Putative P2Y purinoceptor 10Q8BFU7P2ry10Mus musculus (Mouse)328

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