T. brucei TR · T19
T. brucei
PDB 2WOV
Protein: Trypanothione reductase
Binding site: NADPH binding site
| # | Compound | Alt poses | Score ▲ | Final rank | Inter norm | H-bonds | Contacts | Assessment ↕ | GDS |
|---|---|---|---|---|---|---|---|---|---|
| 1 |
KB_chagas_167
T19
|
0 | -29.413 | 4.0092 | -1.2492 | 7 | 18 | Reject | — |
| 2 |
ulfkktlib_987
T19
|
0 | -32.337 | 2.8725 | -1.0241 | 6 | 23 | Weak |
UNSAFE
GDS₃ 0.398
P=36% |
| 3 |
OHD_TC1_70
T19
|
0 | -32.990 | 1.6327 | -1.0906 | 4 | 19 | Weak | — |
| 4 |
OHD_TB2022_27
T19
|
0 | -31.697 | 4.1359 | -0.8809 | 12 | 14 | Reject | — |
| 5 |
ulfkktlib_2994
T19
|
0 | -34.782 | 2.0812 | -1.1715 | 7 | 19 | Weak | — |
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