Table 2.

Cross docking data with FIXa grids. Green cells with green text represent the FIXa ligands and the red texts indicate moderate binding energy of the corresponding ligand. A longer form of this Table is provided in the Supplementary Information (Table S1).

FIXa
	Grid 5TNT		Grid 5TNO		Grid 5EGM		Grid 4ZAE		Grid 4Z0K		Grid 4YZU
		Gscore (kcal/mol)		Gscore (kcal/mol)		GScore (kcal/mol)		GScore (kcal/mol)		GScore (kcal/mol)		GScore (kcal/mol)
1	5TNT	−9.95	5TNT	−9.65	5EGM	−9.85	2XBX	−9.86	4Z0K	−10.33	4YZU	−9.71
2	5TNT	−9.77	5TNO	−9.38	5EGM	−9.79	3KL6	−9.56	4Z0K	−9.50	4YZU	−9.63
3	5TNT	−9.60	5TNT	−9.18	5EGM	−9.17	2XBX	−9.41	5TNT	−8.81	3KL6	−9.49
4	2XBX	−8.29	5TNO	−8.89	4Z0K	−8.45	3M36	−9.35	5TNO	−8.81	4ZAE	−9.29
5	3KL6	−8.17	5TNO	−8.58	2XBX	−8.15	2XBX	−9.21	2XBX	−8.54	3KL6	−9.23
6	2XBX	−8.06	4Z0K	−8.58	2XBX	−8.12	2XBX	−9.15	5TNO	−8.52	2XBX	−9.09
7	2XBX	−7.89	2XBX	−8.54	2XBX	−8.10	2XBX	−9.06	5TNO	−8.50	3KL6	−9.03
8	2PHB	−7.81	4Z0K	−8.28	4Z0K	−8.04	2PHB	−8.97	4YZU	−8.36	3KL6	−8.98
9	2PHB	−7.70	2W26	−8.07	2XBX	−8.01	2XBX	−8.90	5TNO	−8.30	4YZU	−8.96
10	2XBX	−7.68	3KL6	−7.95	2XBX	−7.88	3M36	−8.89	5TNO	−8.20	4ZAE	−8.96
11	2XBX	−7.63	5TNT	−7.84	2XBX	−7.86	2XBX	−8.80	2XBX	−7.73	4YZU	−8.85
12	2XBX	−7.60	2PHB	−7.83	2W26	−7.85	3KL6	−8.72	4YZU	−7.73	3KL6	−8.81
13	2PHB	−7.57	2PHB	−7.82	2PHB	−7.60	2PHB	−8.71	2XBX	−7.68	2XBX	-8.73
14	2PHB	−7.53	2XBX	−7.78	2PHB	-7.49	2XBX	−8.71	2XBX	−7.66	2PHB	−8.70
15	2XBX	−7.47	2PHB	−7.68	2PHB	−7.47	2XBX	−8.66	2XBX	−7.61	2XBX	−8.62
16	2XBX	−7.47	3KL6	−7.68	2W26	−7.45	3KL6	−8.65	2XBX	−7.56	2XBX	−8.48
17	2XBX	−7.37	2PHB	−7.68	2PHB	−7.35	3M36	−8.62	5TNO	−7.52	2XBX	−8.48
18	2PHB	−7.36	2XBX	−7.65	2W26	−7.11	3M36	−8.62	2W26	−7.37	3KL6	−8.47
19	2PHB	−7.35	2W26	−7.62	2PHB	−7.05	5TNT	−8.61	2PHB	−7.35	2W26	−8.45
20	3KL6	−7.34	2XBX	−7.60	2PHB	−7.03	3KL6	−8.57	2XBX	−7.32	3KL6	−8.39
21	2XBX	−7.33	2PHB	−7.58	2PHB	−6.99	2XBX	−8.54	2XBX	−7.24	2XBX	−8.39
22	3KL6	−7.30	2PHB	−7.54	2W26	−6.98	2PHB	−8.49	2XBX	−7.19	3KL6	−8.39
23	3KL6	−7.21	2XBX	−7.46	2XBX	−6.98	2PHB	−8.46	3KL6	−7.18	2W26	−8.37
24	2PHB	−7.20	2PHB	−7.41	2W26	−6.97	2P16	−8.43	2W26	−7.13	2W26	−8.30
25	3KL6	−7.13	3KL6	−7.37	2PHB	−6.93	2PHB	−8.43	3KL6	−7.13	2XBX	−8.29
26	2PHB	−7.07	3KL6	−7.33	5TNT	−6.87	5TNT	−8.40	3KL6	−7.06	3KL6	−8.29
27	2XBX	−7.04	2XBX	−7.33	2PHB	−6.72	2PHB	−8.40	2PHB	−7.00	4ZAE	−8.19
28	2XBX	−7.04	2PHB	−7.31	2PHB	−6.63	2XBX	−8.40	2W26	−6.99	2XBX	−8.16
29	2PHB	−6.85	2PHB	−7.31	2PHB	−6.59	3KL6	−8.39	3KL6	−6.97	2XBX	−8.00
30	3KL6	−6.83	2XBX	−7.27	2W26	−6.45	3KL6	−8.31	2PHB	−6.95	2XBX	−7.93