Table 2. Chemical structures and activities of fragment hits.
| T m (C) | |||||
|---|---|---|---|---|---|
| Fragment | Chemical structure | Without His | With His | IC50 (mM) | Inhibition at 2mM (%) |
| Chem 79 |
|
0.3 | 0.1 | ND | ND |
| Chem 84 |
|
0.8 | 1.6 | >2 | 20 |
| Chem 89 |
|
0.4 | 0.5 | >2 | 39 |
| Chem 744 |
|
0.6 | 0.1 | ND | ND |
| Chem 148 |
|
0.4 | 0.1 | ND | ND |
| Chem 145 |
|
0.3 | 0.1 | ND | ND |
| Chem 149 |
|
0.2 | 0.2 | >2 | 21 |
| Chem 166 |
|
0.3 | 0.1 | ND | ND |
| Chem 256 |
|
0.1 | 0.1 | ND | ND |
| Chem 262 |
|
0.3 | 0.1 | ND | ND |
| Chem 260 |
|
0.4 | 0.5 | ND | ND |
| Chem 443 |
|
0.3 | 0.1 | ND | ND |
| Chem 475 |
|
0.4 | 0 | ND | ND |
| Chem 707 |
|
0.2 | 0.4 | ND | ND |
| Chem 491 |
|
0.4 | 0.4 | ND | ND |