Table 4.
Docking characteristics (pgeom algorithm, STAT1-BS, STAT1-CBAV, LBPV) of STATTIC, STX-0119, C01, E01, F01, and C01L_F03 bound to STAT1, STAT2, and STAT3-SH2 domain.
| Compound | STAT1-BS | STAT1-CBAV (STAT2) | STAT1-CBAV (STAT3) | STAT1-LBPV | STAT2-LBPV | STAT3-LBPV | |||
|---|---|---|---|---|---|---|---|---|---|
| STATTIC | 4.70 | −0.86 | 0.39 | 0.70 | 0.2X | 0.90 | 0.05X | 0.30 | 0.55X |
| STX-0119 | 4.36 | −0.32 | 0.25 | 0.450+X | 0.30+X | 0.250+X | |||
| C01 | 6.73 | 1.74 | 2.08 | 0.50+X | 0.450+X | 0.350+X | |||
| E01 | 6.95 | −1.65 | −0.73 | 0.650+X | 0.30+X | 0.30+X | |||
| F01 | 6.38 | −0.09 | −0.19 | 0.20+X | 0.20+X | 0.30+X | |||
| C01L_F03 | 8.23 | 3.36 | 0.22 | 0.950+X | 0.20+X | 0.750+X | |||