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. Author manuscript; available in PMC: 2010 May 12.
Published in final edited form as: Nature. 2009 Nov 1;462(7270):175–181. doi: 10.1038/nature08506

Table 2. Prediction and testing of new cross-boundary targets for drugs.

Drug / Canonical Target E-value Predicted Target Ki (nM)‡
graphic file with name nihms146111t11.jpg Xenazine
VMAT2
(transporter)		 1.4×10-61 α2 Adrenergic receptor † (GPCR) α2A 960
α2C 1.3×103
graphic file with name nihms146111t12.jpg Rescriptor
HIV-1 RT
(enzyme)		 1.05×10-30 Histamine H4 receptor (GPCR) 5.3×103
graphic file with name nihms146111t13.jpg Vadilex
NMDAR
(ion channel)		 5.14×10-13 μ Opioid receptor (GPCR) 1.4×103
1.98×10-4 5-HTT; Serotonin transporter (transporter) 77
graphic file with name nihms146111t14.jpg RO-25-6981
NMDAR
(ion channel)		 1.53×10-8 5-HTT; Serotonin transporter (transporter) 1.4×103
1.94×10-6 Dopamine D4 receptor (GPCR) 120
3.61×10-6 NET; Norepinephrine transporter (transporter) 1.3×103
9.08×10-5 κ Opioid receptor (GPCR) 3.1×103
†

The MDDR database did not specify the α2 adrenergic receptor subtype, requiring a separate assay for each one (α2A, α2C).

‡

Ki values are accurate ± 20% at two significant figures.