Table 8.
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 |