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Ligand

NameCHEMBL1092286
Molecular formulaC23H25FNO5PS
IUPAC name[2-amino-4-[4-(2-fluoro-4-phenylsulfanylphenyl)phenyl]-2-(hydroxymethyl)butyl] dihydrogen phosphate
Molecular weight477.487
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP0.5
SynonymsSCHEMBL10168135
BDBM50315816
2-Amino-4-(2''-fluoro-4''-phenylthiobiphenyl-4-yl)-2-(phosphoryloxymethyl)butanol
Inchi KeyARGUPDFFGZRWBD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25FNO5PS/c24-22-14-20(32-19-4-2-1-3-5-19)10-11-21(22)18-8-6-17(7-9-18)12-13-23(25,15-26)16-30-31(27,28)29/h1-11,14,26H,12-13,15-16,25H2,(H2,27,28,29)
PubChem CID46206105
ChEMBLCHEMBL1092286
IUPHARN/A
BindingDB50315816
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12449Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
12448Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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