Brief Information of the Compound and Protein
Compound Name
(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate
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PubChem ID
CID: 5283560
SID: 99431555
Canonical SMILES
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O
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Compound Formula C18H38NO5P
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)
>
Lipid-like ligand receptor (family A GPCR)
>
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
EC50 = 0.55 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.16 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.67 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1.4 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  5
1
EC50 = 0.9 nM
   TI
   LI
   LO
   TS
2
EC50 = 4.5 nM
   TI
   LI
   LO
   TS
3
EC50 = 5.6 nM
   TI
   LI
   LO
   TS
4
EC50 = 20 nM
   TI
   LI
   LO
   TS
5
IC50 = 0.78 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 0.1 nM
   TI
   LI
   LO
   TS
2
EC50 = 25.3 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  2
1
EC50 = 2.8 nM
   TI
   LI
   LO
   TS
2
EC50 = 18 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 4.5 nM
2 IC50 = 0.47 nM
3 IC50 = 1.4 nM