Brief Information of the Compound and Protein
Compound Name
(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-[6-[[4-[[3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyridin-2-yl]oxymethyl]-1-bicyclo[2.2.2]octanyl]amino]-6-oxohexyl]-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid;2,2,2-trifluoroacetate
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PubChem ID
CID: 156019405
Canonical SMILES
[O-]C(=O)C(F)(F)F.CC[N+]1=C(\C=C\C=C\C=C2\N(CCCCCC(=O)NC34CCC(COc5ncc(cc5C)-c5ccnc6[nH]ncc56)(CC3)CC4)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O
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Compound Formula C56H64F3N7O10S2
Compound Structure
Protein Name
Toll-like receptor 8
Protein Classification
Membrane receptor
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Toll-like and Il-1 receptors
Uniprot ID
Q9NR97
Gene Name
TLR8
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Kd = 65 nM
   TI
   LI
   LO
   TS