Brief Information of the Compound and Protein
Compound Name
(3S)-3-amino-3-methyl-4-[4-octoxy-3-(trifluoromethyl)anilino]-4-oxobutanoic acid
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PubChem ID
CID: 66923349
SID: 163538087
Canonical SMILES
CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)CC(O)=O)cc1C(F)(F)F
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Compound Formula C20H29F3N2O4
Compound Structure
Protein Name
Sphingosine 1-phosphate receptor 1
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Lipid-like ligand receptor (family A GPCR)
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EDG receptor
Uniprot ID
P21453
Gene Name
S1PR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
EC50 = 135 nM
   TI
   LI
   LO
   TS
2
IC50 = 95 nM
   TI
   LI
   LO
   TS