Table 5.
Cpd | Rigid Docking | Flexible Docking | ||
---|---|---|---|---|
ERK-1 (4QTB) | ERK-2 (4QTA) | ERK-1 (4QTB) | ERK-2 (4QTA) | |
H1 | −9.48 | −10.22 | −10.79 | −10.87 |
H2 | −9.64 | −9.25 | −10.21 | −10.39 |
H3 | −9.36 | −9.7 | −10.27 | −9.87 |
H4 | −8.99 | −8.96 | −10.74 | −9.72 |
H5 | −9.68 | −10.69 | −9.84 | −11.23 |
H6 | −9.63 | −9.35 | −10.31 | −10.8 |
H7 | −8.92 | −9.03 | −10.48 | −10.97 |
H8 | −9.65 | −10.52 | −10.83 | −9.78 |
H9 | −9.28 | −9.51 | −10.19 | −10.21 |
H10 | −9.63 | −10.19 | −10.55 | −9.62 |
H11 | −9.46 | −10.12 | −10.06 | −10.27 |
H12 | −9.21 | −9.56 | −10.51 | −9.47 |
H13 | −9.21 | −9.39 | −10.3 | −10.63 |
H14 | −9.24 | −10.06 | −10.02 | −9.59 |
H15 | −9.19 | −9.51 | −9.62 | −10.06 |
H16 | −9.16 | −9.75 | −9.92 | −9.93 |
H17 | −9.63 | −10.15 | −10.43 | −10.54 |
H18 | −10.07 | −9.9 | −10.76 | −10.58 |
H19 | −9.16 | −9.24 | −10.86 | −11.01 |
Ulixertinib | −8.77 | −8.38 | −9.97 | −9.73 |