活性分子

对接分数(kcal/mol)

IL6 (6ae3)

TNF (3kmc)

CASP3 (2xyp)

JUN(2h96)

原配体

−8.3

−6.9

−4.5

−7.0

M1

−7.8

−8.9

−5.6

−7.9

M2

−8.2

−8.4

−5.8

−7.5

M3

−8.0

−8.2

−5.6

−8.0

M4

−7.5

−3.2

−3.7

−7.2

M5

−8.5

−8.1

−5.6

−8.0