. 2023 Aug 7;38(1):2241674. doi: 10.1080/14756366.2023.2241674

Table 3.

Fallouts of docking for S-isomers of compounds 10c and 10d within variant EGFRs.

Compound	PDB code (EGFR type)	Score (Kcal/mol)	Amino acids bind with
Compound	PDB code (EGFR type)	Score (Kcal/mol)	Hydrophobic head	HHQ core	Hydrophobic tail
10c	1M17 (wild type)	−7.67	Val702, Ala719, Leu764, Asp831	Phe699, Lys721*, Met769, Leu820	Cys773
10d	1M17 (wild type)	−7.73	Val702, Ala719, Met742 Leu764, Asp831	Phe699, Lys721*, Met769, Leu820	Cys773
10c	2JIV (T790M)	−6.65	Val726, Ala743, Lys745, Leu788, Asp855	Met790, Leu844, Cys797	Leu718, Val726
10d	2JIV (T790M)	−7.58	Ala743, Met790, Gln791	Ile744*, Lys745, Leu788, Cys797, Leu844	Arg841
10c	4LQM (L858R)	−6.90	Val726, Lys745, Leu788, Thr854*	Phe723, Ala743, Gln791, Met793, Leu844	Cys797
10d	4LQM (L858R)	−7.11	Val726, Ala743, Lys745, Met766, Leu788, Met790	Phe723, Lys745*, Met793, Leu844	Cys797

All amino acids make hydrophobic interactions except for those mentioned above (*) make hydrogen bonds.