Brief Information of the Compound and Protein
Compound Name
N-butyl-N-[5-[3-(hydroxymethyl)phenyl]-1,3,4-thiadiazol-2-yl]-4-(trifluoromethyl)benzamide
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PubChem ID
CID: 70681007
Canonical SMILES
CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)-c1cccc(CO)c1
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Compound Formula C21H20F3N3O2S
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
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 = 63.1 nM
   TI
   LI
   LO
   TS