Table IV.

Summary of the Dc and Dmin Values for all 89 Target Proteins Obtained by the Small-Compound Set

	Distance
Number	Target protein	Dc (Å)	Dmin (Å)
1	1a6w	1.49	0.64
2	1acj	2.18	1.00
3	1bid	4.04	1.88
4	1blh	2.50	1.84
5	1byb	3.29	0.89
6	1cdo	1.60	1.52
7	1fbp	1.83	1.96
8	1gca	0.73	0.80
9	1hew	6.31	0.72
10	1hfc	4.04	0.52
11	1hyt	5.60	1.36
12	1ida	1.53	0.46
13	1igj	7.05	0.56
14	1imb	3.00	0.73
15	1inc	4.51	0.54
16	1ivd	0.77	0.64
17	1mrg	1.19	0.79
18	1mtw	5.28	1.21
19	1okm	3.10	0.65
20	1pdz	1.12	0.65
21	1phd	1.59	1.05
22	1pso	1.81	0.86
23	1qpe	3.68	0.83
24	1rbp	2.45	1.48
25	1rne	1.48	0.80
26	1rob	1.33	1.44
27	1snc	2.97	1.92
28	1srf	2.94	0.65
29	2ctc	0.80	1.48
30	2h4n	1.75	0.59
31	2pk4	1.48	0.79
32	2sim	1.71	1.05
33	2tmn	1.16	1.21
34	3gch	4.12	1.30
35	3mth	3.86	2.61
36	4phv	4.65	0.59
37	5cna	0.73	1.24
38	5p2p	4.04	1.10
39	6rsa	2.28	0.77
40	1dwd	5.46	2.95
41	1stp	1.61	1.32
42	1ulb	3.86	2.08
43	2ifb	4.11	1.65
44	3ptb	1.53	1.48
45	2ypi	4.07	1.50
46	4dfr	4.28	1.05
47	7cpa	3.67	2.62
48	1apu	3.10	1.40
49	1abe1	1.76	0.80
50	1abe2	1.76	0.80
51	1abf1	1.42	0.51
52	1abf2	1.49	0.67
53	1cbx	2.42	1.34
54	1dbb	3.53	0.75
55	1dbj	3.14	0.67
56	1dog	1.06	1.05
57	1ebg	1.16	0.32
58	1epo	2.30	0.74
59	1etr	3.73	1.91
60	1ets	9.06	3.42
61	1ett	7.01	3.84
62	1hpv	0.79	0.85
63	1hsl	1.18	1.00
64	1htf1	3.19	1.15
65	1htf2	2.80	1.76
66	1hvr	3.74	1.82
67	1mbi	7.32	6.36
68	1mnc	8.16	4.13
69	1nsd	1.81	1.29
70	1pgp	3.97	2.43
71	1phf	0.78	0.52
72	1phg	0.44	1.53
73	1ppc	4.60	1.47
74	1pph	3.42	1.54
75	1rbp	4.28	1.55
76	1tmn	4.39	1.12
77	1tng	1.63	1.39
78	1tnh	1.67	1.94
79	2cgr	5.64	0.55
80	2cpp	0.51	0.86
81	2gbp	0.97	1.03
82	2phh	1.48	1.04
83	2r04	7.80	3.08
84	2tsc	5.87	1.98
85	5abp1	1.10	0.38
86	5abp2	1.29	0.51
87	5cpp	0.49	1.36
88	5tln	3.16	0.65
89	6cpa	3.86	0.48
	Average	3.12	1.53

This prediction is based on the S_avg score. D_c: the distance between the center of the predicted ligand-binding site and the center of the bound ligand. D_min: the minimum distance between the center of the predicted binding site and any atom of the bound ligand.