Table 3.
Molecular docking of dasatinib.
| Hub | Compound | PDB ID | Binding | Hydrogen |
|---|---|---|---|---|
| target | energy | bonding | ||
| (KJ/mol-1) | residues | |||
| EGFR | Dasatinib | 5J87 | −8.2 | GLN-494 |
| ERBB2 | Dasatinib | 3R91 | −7.0 | ILE-214, TYR-216, LEU-76 |
| FYN | Dasatinib | 4QMS | −7.9 | ASN-149, LYS-146, ASP-109 |
| JAK2 | Dasatinib | 6X8E | −9.2 | LEU-855, PHE-860, ASP-994 |
| KIT | Dasatinib | 6Q4G | −9.5 | LYS-129, ASP-86 |
| SRC | Dasatinib | 5VCY | −8.0 | ALA-176, GLU-162, LEU-173, HLU-174 |