Docking pose

I

II^a

III^a

IV

V^a

PIB-SO derivatives

9, 10, 12, 13, 14, 15, 17, 18, 19, 21, 24, 27, 28, 29, 34, 37, 40, 43, 45, 46, 49, 55, 65, 66, 67

11, 26, 39, 53

32, 38, 41, 42, 50, 51, 64

25, 30, 31, 44, 47, 48, 52, 61, 62

-

PIB-SA derivatives

A17, A25, A26, A30, A31, A35, A36, A42, A47, A48

-

-

A8, A12, A28, A39, A40, A41, A45, A46

A10, A21, A23, A32