8POI
Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
Spectrometer
Experimental method: SOLUTION NMR
| Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
| 1 | Bruker | AVANCE III | 800 |
Experiment
| experiment id | conditions id | solution id | Experiment type |
| 1 | 1 | 1 | 2D 1H-15N HSQC |
| 2 | 1 | 1 | 2D 1H-13C HSQC aromatic |
| 3 | 1 | 1 | 2D 1H-13C HSQC aliphatic |
| 4 | 1 | 1 | 3D HCCH-TOCSY |
| 5 | 1 | 1 | 2D NOESY w1-13C-filtered |
| 6 | 1 | 1 | 3D NOESY w2-w1-13C filtered |
| 7 | 1 | 1 | 2D NOESY w2-13C-filtered |
NMR Sample
| conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
| 1 | 6.5 | 1 | 298 |
Conformers
| Conformers Calculated Total Number | 400 |
| Conformers Submitted Total Number | 4 |
