Table 1. Calculated binding energies (ΔG (kcal/mol)) derived from molecular modelling and the pIC₅₀ (-log of the IC₅₀ in calcium flux assay) of compounds derived from the calcium flux assay.

Compound	pIC50	ΔG (kcal/mol)	Compound	pIC50	ΔG (kcal/mol)
AMD3100	6.10	N/A	13	< 4.3	5.11
1	5.42	5.29	14	4.30	5.05
2	5.10	4.89	15	< 4.3	4.81
3	5.08	4.98	16	5.8	5.9
4	4.82	5.23	17	5.8	6.0
5	4.52	4.70	18	< 4.3	3.08
6	< 4.3	< 0.00	19	< 4.3	< 0.00
7	< 4.3	< 0.00	20	6.72	6.90
8	4.50	5.05	21	5.8	6.00
9	4.50	5.10	22	6.00	5.7
10a/10b	< 4.3	4.64	23	6.92	7.84
11	< 4.3	5.02	24	6.72	6.95
12	< 4.3	4.03	25	6.00	6.60