TABLE 1.

Parameters for ASCT2 substrates and inhibitors obtained by docking using Autodock Vina

	ASCT2 Homology Model						ΔG(2NWX)/ΔG(2NWW)
	Based on 2NWX			Based on 2NWW
	No. of Evaluated Poses	No. of Poses with Native α-NH2, COOH	ΔG	No. of Evaluated Poses	No. of Poses with Native α-NH2, COOH	ΔG
			kcal/mol			kcal/mol
Serine	9	1	−4.3 (pose 4)	5	2	−3.7 (pose 1)	1.16
Asparagine	9	1	−4.5 (pose 8)	5	2	−4.1 (pose 3)	1.10
Glutamine	9	1	−5.4 (pose 2)	5	2	−4.4 (pose 3)	1.23
-Ethyl (6c)	5	1	−5.8 (pose 0)	5	4	−4.7 (pose 0)	1.23
-Isopropyl (4c)	5	1	−5.7 (pose 2)	8	2	−4.3 (pose 5)	1.33
-Cyclohexyl (1c)	9	1	−3.8 (pose 0)	9	4	−5.3 (pose 1)	0.72
-Bzl-Ser	9	2	−4.6 (pose 0)	7	4	−5.2 (pose 1)	0.88
-Naphthyl (3c)	5	0		7	3	−6.1 (pose 5)
-Biphenyl (5c)	9	0		9	2	−6.6 (pose 6)
-Fluorenyl (2c)	6	0		8	2	−6.4 (pose 5)
Aspartate transporter
Aspartate	5	1	−5.5 (pose 0)	5	1	−4.3 (pose 2)	1.28