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. 2022 Apr 1;13:817990. doi: 10.3389/fphar.2022.817990

TABLE 6.

molecular docking of 1, 2, 5-Oxadiazoles (from virtual screening of Namiki-shoji small molecule library with SENP2, Kumar, et al.) with IC50 < 10µM with SENP2.

Number Name IC50 (µM) Lowest binding free energy (kcal/mol)
1 52 6.8 −6.68
2 59 7.6 −5.99
3 68 8.7 −5.83
4 69 5.9 −5.54
5 78 9.4 −4.83
6 91 7.7 −5.51
7 98 7.8 −5.39
8 101 7.5 −5.44
9 102 6.3 −5.22
10 106 8.2 −5.64
11 107 6.3 −5.63
12 108 6.2 −5.68
13 109 9.0 −5.44
14 111 7.0 −5.68
15 115 4.5 −4.02
16 117 3.7 −5.20
17 118 6.8 −5.25
18 119 6.3 −10.57
19 120 5.0 −5.06
20 121 4.4 −5.12
21 122 4.0 −5.24
22 123 5.2 −4.53
23 124 5.9 +1.07