Table 4.

Docking scores of anti-RdRP drugs against two active sites with the highest site score and largest size.

No.	Drug name	Docking score of rigid docking. First site	Docking score of rigid docking. Second site	Docking score of induced-fit docking. First site	Docking score of induced-fit docking. Second site
1	Remdesivir	−5.591	−4.364	−5.413	−6.718
2	Favipiravir	−3.827	−5.179	−6.323	−4.822
3	Ribavirin	−5.600	−6.729	−6.490	−6.953
4	Galidesivir	−3.214	−7.580	−6.187	−7.154
5	Tenofovir	−4.397	−4.994	−5.241	−5.795
6	Setrobuvir	−5.052	−0.705	−4.601	−6.088
7	CHEMBL 180948	−4.073	−3.622	−3.598	−3.870
8	CHEMBLE 221046	−2.320	−3.273	−3.929	−3.561
9	R1626	−4.757	−3.286	−3.506	−4.781
10	Sofosbuvir	−5.376	−4.343	−6.918	−6.529
11	Valganciclovir	−5.884	−6.822	−6.485	−5.085
12	Ceftibuten	−4.718	−5.896	−6.302	−5.105
13	Fenoterol	−4.934	−8.562	−8.521	−7.561
14	Fludarabine	−6.401	−5.299	−5.937	−7.042
15	Itraconazole	−4.023	−1.070	−6.203	−5.025
16	Cefuroxime	−4.672	−5.711	−4.961	−6.135
17	Atovaquone	−3.926	−3.454	−4.882	−4.103
18	Chenodeoxycholic acid	−3.189	−4.807	−6.113	−4.951
19	Cromolyn	−6.110	−4.420	−5.917	−4.559
20	Dabigatran etexilate	−5.291	−3.975	−6.375	−6.367
21	Cortisone	−5.298	−4.088	−5.110	−5.820
22	Tibolone	−3.354	−3.914	−5.109	−5.109
23	Novobiocin	−5.203	−1.010	−5.492	−3.407
24	Silybin	−4.922	−7.786	−5.625	−6.997
25	Idarubicin	−6.424	−8.611	−7.806	−7.993
26	Bromocriptine	−3.763	−4.865	−6.708	−6.661
27	Diphenoxylate	−2.878	−5.486	−5.273	−4.528
28	Benzylpenicilloyl G	−5.639	−4.202	−5.179	−6.922