Table 2. Thermal shift assay (TSA) results for 59 potential fragment hits from computational screening using severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) Nsp1N.
Fragments showing atypical curves are labelled as atypical curve in the table.
| Identification number | Fragments | Ti ± SD [°C] | ΔTi/ °C |
|---|---|---|---|
| lig_575 | 1B9 | 52.5±0.6 | –2.7 |
| lig_490 | 1C6 | 51.5±0.4 | –3.4 |
| lig_507 | 1H6 | 50.5±0.1 | –4.1 |
| lig_1427 | 2E10 | 53.8±0.3 | –1.3 |
| lig_1428 | 2F10 | 53.5±0.4 | –1.7 |
| lig_1037 | 2F5 | 53.7±0.6 | –1.6 |
| lig_685 | 3E8 | 54.8±0.2 | –0.3 |
| lig_924 | 4B5 | 54.7±0.5 | –0.5 |
| lig_502 | 4C6 | Atypical curve | |
| lig_369 | 4E4 | 53.6±0.4 | –1.4 |
| lig_400 | 5B7 | 53.9±0.1 | –0.9 |
| lig_194 | 5D3 | Atypical curve | |
| lig_335 | 5E8 | 54.8±0.2 | –0.4 |
| lig_30 | 6E3 | Atypical curve | |
| lig_113 | 6G8 | 54.3±0.0 | –0.6 |
| lig_168 | 7A2 | 51.2±0.4 | –3.8 |
| lig_212 | 7A4 | Atypical curve | |
| lig_552 | 7B6 | 55.0±0.2 | 0.1 |
| lig_1220 | 7D10 | 54.7±0.3 | –0.2 |
| lig_171 | 7D2 | 54.6±0.2 | –0.3 |
| lig_570 | 7E6 | 51.5±0.4 | –3.1 |
| lig_579 | 7F11 | 51.8±0.2 | –3 |
| lig_1054 | 7F6 | 54.3±0.3 | –0.6 |
| lig_1310 | 8A4 | Atypical curve | |
| lig_1281 | 8A5 | Atypical curve | |
| lig_422 | 8B4 | 51.2±0.1 | –3.7 |
| lig_349 | 8C4 | Atypical curve | |
| lig_1410 | 8D3 | 53.2±0.3 | –2.4 |
| lig_1009 | 8G7 | 51.5±0.4 | –3.3 |
| lig_355 | 9A11 | 54.9±0.1 | 0 |
| lig_243 | 9C10 | 54.3±0.1 | –0.9 |
| lig_1216 | 9D8 | 54.5±0.4 | –0.7 |
| lig_812 | 9E11 | 53.1±0.1 | –1.9 |
| lig_329 | 9E2 | 54.4±0.3 | –0.5 |
| lig_262 | 9G9 | 53.2±0.3 | –1.7 |
| lig_783 | 10A6 | 54.4±0.2 | –1.2 |
| lig_910 | 10A8 | Atypical curve | |
| lig_806 | 10A9 | 54.6±0.1 | -1 |
| lig_1381 | 10B7 | 50.7±0.3 | –4.9 |
| lig_286 | 10G8 | 54.1±0.2 | –0.7 |
| lig_1209 | 11A5 | 55.8±0.1 | 0.2 |
| lig_1057 | 11B2 | Atypical curve | |
| lig_907 | 11E4 | 55.6±0.0 | 0.7 |
| lig_1064 | 11E8 | 54.6±0.1 | –0.3 |
| lig_377 | 11F10 | 54.8±0.1 | –0.8 |
| lig_1195 | 11F2 | 54.8±0.2 | –0.1 |
| lig_1149 | 11G3 | 55.4±0.5 | 0.5 |
| lig_83 | 12A11 | Atypical curve | |
| lig_1315 | 12A3 | Atypical curve | |
| lig_864 | 12B10 | 55.1±0.2 | –0.1 |
| lig_394 | 12B5 | 55.2±0.2 | 0.1 |
| lig_1382 | 12C4 | 55.5±0.4 | 0.6 |
| lig_752 | 12D5 | 54.9±0.1 | –0.3 |
| lig_1223 | 12F7 | 52.4±0.3 | –2.7 |
| lig_1157 | 12F9 | 55.0±0.2 | –0.2 |
| lig_1228 | 12G7 | 52.6±0.5 | –2.6 |
| lig_892 | 12H2 | 54.8±0.1 | –0.4 |
| lig_706 | 13D6 | 51.8±0.4 | –3.3 |
| lig_897 | 13G5 | 54.3±0.1 | –0.9 |