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Ligand

NameCHEMBL3814527
Molecular formulaC31H36NO11P
IUPAC name(2S)-2-amino-3-[hydroxy-[[(2R,3R)-3-[3-[3-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]oxan-2-yl]methoxy]phosphoryl]oxypropanoic acid
Molecular weight629.599
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP0.6
SynonymsBDBM50177135
Inchi KeyNIXMIJJLVYWVJI-ZGIBFIJWSA-N
Inchi IDInChI=1S/C31H36NO11P/c32-27(31(34)35)20-40-44(36,37)41-21-29-28(13-6-16-38-29)43-30(33)15-14-22-7-4-11-25(17-22)39-19-23-8-5-12-26(18-23)42-24-9-2-1-3-10-24/h1-5,7-12,17-18,27-29H,6,13-16,19-21,32H2,(H,34,35)(H,36,37)/t27-,28+,29+/m0/s1
PubChem CID127050879
ChEMBLCHEMBL3814527
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
527951Putative P2Y purinoceptor 10Q8BFU7P2ry10Mus musculus (Mouse)328

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