Table 1. Compound sources, pharmacophore searching fit values and radioligand binding data for the tested VS hits compared to the reference compound dopamine, employing D_2L receptors expressed in CHO cells.

Compound	Compound origin	Ref.	Pharmacophore model fit valuea		Ki ± SEM [nM]b [3H]spiperone D2L
Dopamine					160 ± 31
D2R-agonist hits
Clenbuterol	Food contaminant, illegal use in calf fattening	49	2.488		50,000 ± 13,000
Delphinidin	Anthocyanidin, in various plants and fruits	50	2.396		26,000 ± 6,800
Fumigaclavine A	Produced by Aspergillus	32	2.901		1,100 ± 160
Hordenine	Barley and beer	38,39	2.300		13,000 ± 2,700
Kukoamine A	Potato tubers	51	2.967		>100,000
Leonurine	Leonotis species	52	2.833		>100,000
Muscimol	Amanita muscaria	53	2.218		>100,000
Pyrraline	Maillard product from glucose and lysine	54	2.853		>100,000
Salsolinol	Cocoa and chocolate	37	2.397		7,300 ± 1,900
D2R-antagonist hits			Model A	Model B
Ajmalicine	Rauvolvia serpentina	55	2.287	2.672	>100,000
Dihydroberberine	Berberis species	56	2.360	2.252	75,000 ± 27,000c
Emetine	Carapichea ipecacuanha	57	2.848	2.652	37,000 ± 5,700c
Fenpropimorph	Food contaminant, fungicide	58	1.403	2.687	>100,000
Halofuginone	Food contaminant, coccidiostat	59	2.818	2.774	>50,000
Robenidine	Food contaminant, coccidiostat	33	2.163	2.553	5,400 ± 1,600
Roquefortine C	Blue cheese	60	1.087	2.362	>100,000
Sarafloxacin	Food contaminant, antibiotic	61	1.279	2.852	>100,000

^aThe fit value indicates how well a compound matches the pharmacophore model. For our models, which each contain three features, the maximum possible fit value for a compound is 3.

^bK_i values ± standard error of mean (SEM) in nM derived from at least four individual experiments each performed in triplicate.

^cK_i values ± standard deviation (SD) in nM derived from two individual experiments each performed in triplicate.