Table 1. Experimental and Theoretical Calculations Using Known DAT Ligands.

drug	exp pKia	theor. pKib	score
cocaine	6.89	7.10 ± 0.19	−6.20 ± 0.67
8-oxa-norcocaine	5.81	5.77 ± 0.09	−6.21 ± 0.10
WIN 35,428	7.70	7.00 ± 0.37	−6.12 ± 0.27
4-ARA-127	5.48	6.67 ± 0.28	−5.18 ± 0.18
methylphenidate	7.24	7.21 ± 0.27	−5.57 ± 0.21
mazindol	7.89	8.82 ± 0.26	−6.04 ± 0.27
benztropine	6.90	7.66 ± 0.20	−6.62 ± 0.16
GBR 12,909	7.51	9.91 ± 0.33	−8.15 ± 0.11

^aExperimental pK_i reported by Ukairo et al. (12).

^bTheoretical pK_i.