Skip to main content
. 2019 May 10;34(1):1030–1040. doi: 10.1080/14756366.2019.1609469

Table 8.

Docking results of compound 10 inside 1M17 and 3RCD active sites.

Receptor Compound Energy score (S) (Kcal/mol) Amino acids Interacting groups Length (Å)
1M17 Erlotinib −9.82 Met 769 N-1 of quinazolinone 2.70
10 −9.88 Met 769 NH2 of sulphonamide 0.85
    Cys 773 CO of quinazolinone 1.91
    Phe 699 Ph of acetamide 4.23
3RCD TAK-285 −9.70 Met 801 N-1 of pyrrolopyrimidine 2.18
10 −9.71 Met 801 SO2 of sulphonamide 3.15
    Thr 862 CO of acetamide 1.97
    Asp 863 CO of acetamide 2.73
    Lys 753 N-1 of quinazolinone 1.87