Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Methyl 8-(4-(5,6-Bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl-sulfonyloxy)phenylamino)-8-oxooctanoate
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 PubChem ID
CID: 122180812
Canonical SMILES
COC(=O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)C2CC3OC2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1
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Compound Formula C33H35NO9S
Compound Structure
Protein Name
 Protein Info 
Estrogen receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 3
>
Nuclear hormone receptor subfamily 3 group A
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Nuclear hormone receptor subfamily 3 group A member 1
Uniprot ID
P03372
Gene Name
ESR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 10800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 59.86 nM