Structures were obtained using Alignator and Cheetah, binding affinities calculated with Quasar — Biographics software implemented in the VirtualToxLab™

Compound	Target	Affinity (calc.)	Affinity (exp.)	Toxic potential	Toxicity alert	Binding mode
Tetrahydrogestrinone	androgen receptor	8.8 nM	8.4 nM	0.589	*	currently displayed
Dibenzo[ah]anthracene	aryl hydrocarbon receptor	14 nM	16 nM	0.610	**	→ view
Diethylstilbestrol	estrogen receptor α	0.96 nM	0.23 nM	0.721	***	→ view
17β-Estradiol	estrogen receptor β	4.4 nM	3.9 nM	0.558	*	→ view
Astemizole	hERG ion channel	7.5 nM	0.91 nM	0.599	*	→ view
Progesterone	progesterone receptor	5.8 nM	3.0 nM	0.578	*	→ view
Naringenin	cytochrome P450 1A2	192 nM	400 nM	0.484	–	→ view
Triiodo-L-thyronine	thryoid receptor β	890 pM	93 pM	0.552	*	→ view

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