Table 3.
Receptor binding affinity, RMSD values and residues involved in the interaction at the FLT3 active site.
| Compound No. | Binding Affinity | Root Mean Square Deviation (RMSD) | Amino Acids Involved in Interactions at the Active Site |
|---|---|---|---|
| 9a | −7.785 | 1.754 | Glu 661, Cys 828. |
| 9b | −8.479 | 1.015 | Glu 661, Cys 828, Asp 829. |
| 10a | −6.831 | 1.760 | Leu 616, Cys 694, Asp 698. |
| 11 | −7.671 | 1.467 | Glu 692, Cys 694, Asp 829, Phe 691 |
| 12 | −6.632 | 1.778 | Glu 692, Asp 829, Phe 691 |
| P30 | −9.989 | 1.681 | Glu 661, Cys 694, Asp 829, Leu 616. |