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Beni-Suef University Journal of Basic and Applied Sciences

Table 6 The ligand-receptor, binding affinity, hydrogen bond, bond distance, and other interaction of some selected ligands

From: Quantitative structure-activity relationship, molecular docking, drug-likeness, and pharmacokinetic studies of some non-small cell lung cancer therapeutic agents

Ligand-receptor (3IKA) Binding affinity (Kcal/mol) Hydrogen bond Bond distance (Å) Halogen, hydrophobic, and other amino acid residues
Complex 4 − 8.4 Thr854 and Asp855 2.31432 and 2.5532 Lys745, Cys797, Ala743, Leu844, Leu718, Val726, Ala743, and Lys745
Complex 12 − 8.7 Unk1, Arg841, Asp855, Glu762, and Glu762 2.4959, 3.7987, 3.2586, 3.7260, and 3.7228 Leu718, Leu718, Lys745, Val726, Leu844, Lys728, and Leu792
Complex 16 − 8.6 Met793, Lys728, Glu762, and Asp855 2.8649, 2.2705, 3.5998, and 3.6036 Leu718, Leu718, Lys745, Val726, Leu844, Lys728, and Leu792
Complex 27 − 8.5 Glu762 3.68933 Leu718, Leu718, Lys745, Val726, Leu844, Lys728, and Leu792
Complex 29 − 8.8    LYS745, PHE795, GLY796, ALA743, LEU844, LEU718, VAL726, ALA743, and LYS745
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