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Distances and angles of hydrogen bonds formed between 3MEC and the docked compounds (43 and 46).
| Receptor | Ligand | Hydrogen-Bond Receptor | Hydrogen-Bond Donor | Distance (Å) | Angle (°) |
|---|---|---|---|---|---|
| 3MEC | 43 | –O (Lys101 –C=O) | –N (–NH) | 1.725 | 151.02 |
| –N (pyrimidine) | –N (Lys101 –NH2) | 2.302 | 168.45 | ||
| 46 | –O (Lys101 –C=O) | –N (–NH) | 1.843 | 157.47 | |
| –N (pyrimidine) | –N (Lys101 –NH2) | 2.477 | 163.30 |
