Table 1.

Complete list of all molecules tested to validate the Na_v1.5 model with the corresponding CHEMBL IDs, IC₅₀, pIC₅₀, and the AMBER-MMGBSA binding energy values

No	Structure	CHEMBL ID	IC50(nM)	pIC50	Binding energy (kcal/mole)
1		CHEMBL2012259	20	7.7	−28.07
2		CHEMBL2012299	20	7.7	−32.85
3		CHEMBL2012298	30	7.52	−32.78
4		CHEMBL2012180	30	7.52	−31.38
5		CHEMBL2012292	40	7.4	−41.35
6		CHEMBL2012273	40	7.4	−35.04
7		CHEMBL2012274	40	7.4	−37.05
8		CHEMBL2012179	50	7.3	−38.47
9		CHEMBL2012272	50	7.3	−35.56
10		CHEMBL2012291	60	7.22	−38.37
11		CHEMBL2012266	60	7.22	−36.79
12		CHEMBL2012271	70	7.15	−35.68
13		CHEMBL2012300	80	7.1	−36.03
14		CHEMBL2012285	80	7.1	−36.25
15		CHEMBL2012181	80	7.1	−39.29
16		CHEMBL2012290	90	7.05	−37.66
17		CHEMBL2012296	90	7.05	−32.87
18		CHEMBL486495	100	7.0	−42.33
19		CHEMBL2012295	110	6.96	−33.47
20		CHEMBL2012262	110	6.96	−39.25
21		CHEMBL1813050	300	6.52	−35.50
22		CHEMBL1813049	500	6.3	−33.54
23		CHEMBL2164368	810	6.09	−32.06
24		CHEMBL2164041	940	6.03	−32.39
25		Ranolazine		5.23	−39.35
26		CHEMBL2409402	27,000	4.57	−33.08
27		CHEMBL2409401	28,000	4.55	−32.65
28		CHEMBL2147316	31,622.78	4.5	−25.63
29		CHEMBL3236329	36,000	4.44	−37.85
30		CHEMBL2418806	50,000	4.3	−35.83
31		CHEMBL741	62,000	4.21	−24.18
32		CHEMBL3236343	69,000	4.16	−37.73
33		CHEMBL79	108,000	3.97	−22.24
34		CHEMBL2018453	174,000	3.76	−27.21
35		Flecainide	345,000	3.46	−16.79

Notes: Binding energy values achieves a Pearson’s correlation of 0.70 with the IC₅₀ values. Ligands appear according to their reported IC₅₀ values.