Table 2.
Binding amino acids of five compounds against TOP2B, p38, p53, and EGFR proteins.
| Compound | TOP2B | p38 | p53 | EGFR |
|---|---|---|---|---|
| Binding amino acids (Bond type) | Binding amino Acids (Bond type) | Binding amino acids (Bond type) | Binding amino acids (Bond type) | |
| 8c | LYS-739 (H-acceptor), HIS-775 (H-acceptor), GLY-776 (pi-H) |
GLU-71 (H-donor), HIS-148 (H-acceptor), ASP-168 (H-acceptor), LYS-53 (pi-cation) |
TYR-100 (H-acceptor) | CYS-773 (H-donor) |
| 8f. | LYS-739 (H-acceptor), HIS-775 (pi-H), GLY-776 (pi-H), ASN-786 (pi-H) |
GLU-71 (H-donor), HIS-148 (H-acceptor), ASP-168 (H-acceptor), LYS-53 (pi-cation) |
TYR-100 (H-acceptor), ACE-17 (pi-H) |
ASP-831 (H-donor), CYS-773 (H-donor), LYS-721 (H-acceptor), LYS-692 (pi-cation) |
| 8h |
LYS-739 (H-acceptor), 3.15 LYS-814 (pi-H) |
GLU-71 (H-donor), HIS-148 (H-acceptor), ASP-168 (H-acceptor), LYS-53 (pi-cation) |
HIS-96 (pi-pi) | LYS-692 (pi-cation) |
| 8i |
LYS-505 (H-acceptor), 3.21 ARG-503 (pi-cation) |
HIS-148 (H-acceptor), LYS-53 (H-acceptor), LYS-53 (pi-cation) | HIS-96 (H-pi), GLY-58 (pi-H) |
CYS-773 (H-donor), LYS-692 (H-acceptor) |
| 8L | LYS-814 (H-acceptor), LYS-814 (pi-H) |
GLU-71 (H-donor), HIS-148 (H-acceptor), LYS-53 (pi-cation) |
TYR-67 (H-pi) | CYS-773 (H-donor) |