Brief Information of the Compound and Protein
Compound Name
5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalen-2-ylidene]pentanoic acid
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PubChem ID
CID: 5311181
SID: 14876806
Canonical SMILES
CC#CCC(C)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
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Compound Formula C22H32O4
Compound Structure
Protein Name
Prostacyclin receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
>
Lipid-like ligand receptor (family A GPCR)
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Prostanoid receptor
Uniprot ID
P43119
Gene Name
PTGIR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 2.4 nM
   TI
   LI
   LO
   TS
2
Ki = 3.2 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8.4 nM
2 IC50 = 13 nM
3 IC50 = 17 nM
4 Ki = 4.8 nM
5 Ki = 6.5 nM
6 Ki = 7.3 nM