T. brucei TR · T18
T. brucei
PDB 6RB5
Protein: Trypanothione reductase
Binding site: Mepacrine binding site (MBS, site 1)
| # | Compound | Alt poses | Score ▲ | Final rank | Inter norm | H-bonds | Contacts | Assessment ↕ | GDS |
|---|---|---|---|---|---|---|---|---|---|
| 1 |
TC431
T18
|
0 | -25.313 | 2.2148 | -0.5171 | 3 | 16 | Reject | — |
| 2 |
Z1521554012
T18
|
0 | -19.032 | 2.6893 | -0.7519 | 5 | 13 | Reject | — |
| 3 |
OHD_MAC_16
T18
|
0 | -20.836 | 3.8829 | -0.7420 | 6 | 16 | Reject | — |
| 4 |
Z56824264
T18
|
0 | -19.339 | 1.3468 | -1.1673 | 3 | 13 | Weak | — |
| 5 |
KB_HAT_118
T18
|
0 | -11.278 | 3.6184 | -0.8969 | 5 | 15 | Reject | — |
Kliknite na stolpec za podroben pregled spojin · Kliknite ⤢ za razširjen pogled z izborom spojin.