Brief Information of the Compound and Protein
Compound Name
(2S,4R)-4-benzyl-N-[4-(4-fluorophenoxy)phenyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
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PubChem ID
CID: 45378010
SID: 93369541
Canonical SMILES
Fc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@@H](Cc4ccccc4)CN3C(=O)Cn3cncn3)cc2)cc1
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Compound Formula C28H26FN5O3
Compound Structure
Protein Name
Sphingosine 1-phosphate receptor 1
Protein Classification
Membrane receptor
>
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
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 6.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 45 nM
   TI
   LI
   LO
   TS