Table 2.

FRED docking results of Known inhibitors (scores and rank).

	FRED docking results
Compound ID	CG2 Score	Rank	SG Score	Rank
1	−116.18	1	−917.35	2
2	−103.52	2	−808.91	3
3	−100.03	3	−1, 019.39	1
4	−82.02	4	−764.97	4
5	−76.16	5	−667.81	8
6	−71.74	6	−697.54	5
7	−71.22	7	−667.42	9
8	−69.92	9	−691.82	6
9	−69.10	10	−649.18	10
10	−68.72	11	−628.09	15
11	−68.36	12	−635.27	12
12	−67.02	15	−631.03	14
13	−66.89	17	−674.01	7
14	−66.68	19	−608.07	17
15	−66.06	20	−609.41	16
16	−66.06	21	−642.12	11

CG2, Chemgauss 2; SG, Shapegauss.