Brief Information of the Compound and Protein
Compound Name
 Compound Info 
16-(4-{[(1-{3-[fluoro(methoxy)phosphoryl]propyl}-1H-1,2,3-triazol-4-yl)methyl]sulfamoyl}-2-(hydroxysulfinato)phenyl)-3-oxa-9,23-diazaheptacyclo[17.7.1.1^{5,9}.0^{2,17}.0^{4,15}.0^{23,27}.0^{13,28}]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-9-ylium
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 PubChem ID
CID: 46231227
Canonical SMILES
CN(C)C(\C)=C\C1=C(Cc2cc(N(C)C)c(C)cc2C1c1cccc(C(=O)Oc2ccc3[C@H]4CC[C@@]5(C)[C@@H](CC[C@@]5(O)c5cn(C[C@H]6O[C@@H]7O[C@@H]8[C@@H](Cn9cc(nn9)[C@]9(O)CC[C@H]%10[C@@H]%11CCc%12cc(OC(=O)c%13cccc(C%14c%15cc(C)c(cc%15Cc%15cc(N(C)C)c(C)cc%14%15)N(C)C)c%13C(O)=O)ccc%12[C@H]%11CC[C@]9%10C)O[C@H](O[C@@H]9[C@@H](Cn%10cc(nn%10)[C@]%10(O)CC[C@H]%11[C@@H]%12CCc%13cc(OC(=O)c%14cccc(C%15c%16cc(C)c(cc%16Cc%16cc(N(C)C)c(C)cc%15%16)N(C)C)c%14C(O)=O)ccc%13[C@H]%12CC[C@]%10%11C)O[C@H](O[C@@H]%10[C@@H](Cn%11cc(nn%11)[C@]%11(O)CC[C@H]%12[C@@H]%13CCc%14cc(OC(=O)c%15cccc(C%16c%17cc(C)c(cc%17Cc%17cc(N(C)C)c(C)cc%16%17)N(C)C)c%15C(O)=O)ccc%14[C@H]%13CC[C@]%11%12C)O[C@H](O[C@@H]%11[C@@H](Cn%12cc(nn%12)[C@]%12(O)CC[C@H]%13[C@@H]%14CCc%15cc(OC(=O)c%16cccc(C%17c%18cc(C)c(cc%18Cc%18cc(N(C)C)c(C)cc%17%18)N(C)C)c%16C(O)=O)ccc%15[C@H]%14CC[C@]%12%13C)O[C@H](O[C@@H]%12[C@@H](CCn%13cc(nn%13)[C@]%13(O)CC[C@H]%14[C@@H]%15CCc%16cc(O)ccc%16[C@H]%15CC[C@]%13%14C)O[C@H](O[C@@H]%13[C@@H](Cn%14cc(nn%14)[C@]%14(O)CC[C@H]%15[C@@H]%16CCc%17cc(OC(=O)c%18cccc(C%19C(C=C(C)C)=C(Cc%20cc(N(C)C)c(C)cc%19%20)C=C)c%18C(O)=O)ccc%17[C@H]%16CC[C@]%14%15C)O[C@H](O[C@H]6[C@H](O)[C@H]7O)[C@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)nn5)[C@@H]4CCc3c2)c1C(O)=O)C=C
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Compound Formula C350H402N32O60
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
CL000211 Ishikawa
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 1500 nM
   TI
   LI
   LO
   TS