Table 5: The data calculations of docking interaction for L, (C4H9)2SnCl2, and [Sn(C4H9)2LCl].


 Receptor  Interaction  Distance (Å) E (kcal/mol)

 Ligand
 N 20  O ASP 195  H-donor  3.55 (2.60) −0.5
 O 23  OE1 GLN 156  H-donor  3.03 (2.07) −2.8
 6-ring  N SER 154  pi-H  4.17 −0.8
 (C4H9)2SnCl2
 Cl 2  N ASP 40  H-acceptor  3.40 (2.51) −0.6
 [Sn(C4H9)2LCl]
 C 33  NZ LYS 84  H-acceptor  3.20 (2.57) −17.4
 C 33  NZ LYS 84  Ionic  3.20 −3.3
 C 33  NH1 ARG 88  Ionic  3.07 −4.1
 6-ring  CA ARG 88  Ionic  4.15 −0.5

The H-bond lengths are in brackets.