L. major PTR1 · T05
L. major
PDB 7PXX
Protein: Pteridine reductase 1
| # | Compound | Alt poses | Score ▲ | Final rank | Inter norm | H-bonds | Contacts | Assessment ↕ | GDS |
|---|---|---|---|---|---|---|---|---|---|
| 1 |
Z56948577
T05
|
0 | -26.402 | 2.9054 | -1.1427 | 3 | 15 | Weak |
UNSAFE
GDS₃ 0.465
P=32% |
| 2 |
Z275145784
T05
|
0 | -35.497 | 1.9280 | -1.0738 | 7 | 12 | Weak | — |
| 3 |
Z14342059
T05
|
0 | -22.087 | 3.8601 | -0.9169 | 8 | 13 | Reject |
SAFE
GDS₃ 0.323
P=62% |
| 4 |
Z56775819
T05
|
0 | -30.061 | 4.0647 | -1.1679 | 6 | 15 | Weak | — |
| 5 |
NMT-TY0545
T05
|
0 | -33.381 | 3.8919 | -1.2478 | 14 | 17 | Reject | — |
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