Brief Information of the Compound and Protein
Compound Name
2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-(3-(2-(2-(2-(1-methyl-3-((endo)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ylcarbamoyl)-1H-indazol-7-yloxy)ethoxy)ethoxy)ethyl)thioureido)benzoic acid
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Canonical SMILES
CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1nn(C)c3c(OCCOCCOCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cccc13)C2
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Compound Formula C45H48N6O9S
Compound Structure
Protein Name
5-hydroxytryptamine receptor 3A
Protein Classification
Ion channel
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Ligand-gated ion channel
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5HT3 receptor
Uniprot ID
P46098
Gene Name
HTR3A
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)  1
1
Ki = 208 nM
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