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Ligand

NameCHEMBL247698
Molecular formulaC20H34NO5P
IUPAC name[(2S,3R,5R)-5-(hydroxymethyl)-3-(4-octylphenyl)pyrrolidin-1-ium-2-yl]methyl hydrogen phosphate
Molecular weight399.468
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP1.0
SynonymsBDBM50197421
(2S,3R,5R)-2-[(hydrogen phosphonatooxy)methyl]-5-(hydroxymethyl)-3-(4-octylphenyl)pyrrolidin-1-ium
Inchi KeyDXYHOMLATOQDGJ-VAMGGRTRSA-N
Inchi IDInChI=1S/C20H34NO5P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)19-13-18(14-22)21-20(19)15-26-27(23,24)25/h9-12,18-22H,2-8,13-15H2,1H3,(H2,23,24,25)/t18-,19-,20-/m1/s1
PubChem CID44438257
ChEMBLCHEMBL247698
IUPHARN/A
BindingDB50197421
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
71773Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
71770Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378
71771Sphingosine 1-phosphate receptor 4O95977S1PR4Homo sapiens (Human)384
71772Sphingosine 1-phosphate receptor 5Q9H228S1PR5Homo sapiens (Human)398

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