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. 2022 Nov 30;10:1031038. doi: 10.3389/fpubh.2022.1031038

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