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. 2018 Sep 19;9:2141. doi: 10.3389/fimmu.2018.02141

Table 2.

Docking characteristics (pscreen algorithm, STAT1-BS, Crash, and Polar Score) of top 12 selected compounds from Clean Leads primary screen bound to STAT1-SH2 domain.

ZINC ID STAT1-BS Crash Polar score
A01 ZINC04943450 7.56 −1.12 6.96
B01 ZINC05362485 7.71 −1.66 8.67
C01 ZINC08344970 8.09 −1.66 6.9
D01 ZINC09418732 7.63 −1.11 7.57
E01 ZINC09970661 8.36 −1.27 6.05
F01 ZINC13362660 7.78 −1.04 6.62
G01 ZINC13443544 7.81 −1.77 4.94
H01 ZINC15772297 7.79 −0.99 5.98
I01 ZINC20069236 7.76 −1.72 8.99
J01 ZINC20312047 8.51 −0.85 6.87
K01 ZINC07047084 7.58 −1.4 8.94
L01 ZINC08477975 7.66 −1.32 6.92