Table 1 Test systems
# | PDB IDa | Target | Ligand | MWb |
|---|---|---|---|---|
1 | 3ptb | bovine β-trypsin | benzamidine | 120 |
2 | 3n3 l | farnesyl pyrophosphate synthase | (6-methoxy-1-benzofuran-3-yl) acetic acid (MS0) | 206 |
3a | 3hvc | mitogen-activated protein kinase | 4-[3-(4-fluorophenyl)-1 h-pyrazol-4-yl]pyridine (GG5) | 239 |
3b | 4f9w | mitogen-activated protein kinase | 4-[3-(4-fluorophenyl)-1 h-pyrazol-4-yl]pyridine (GG5) | 239 |
4 | 3cpa | carboxy-peptidase | GY | 256 |
5 | 1qcf | haematopoetic cell kinase (HCK) | 1-ter-butyl-3-p-tolyl-1 h-pyrazolo[3,4-d]pyrimidin- 4-ylamine (PP1) | 281 |
6 | 1h61 | pentaerythritol tetranitrate reductase | Prednisone® | 358 |
7 | 2bal | mitogen-activated protein kinase | [5-amino-1-(4- Fluorophenyl)-1H-Pyrazol-4- yl] [3-(piperidin-4-yloxy) phenyl]methanone | 380 |
8 | 1hvy | thymidylate synthase | Ralitrexed® | 459 |
9 | 3g5d | tyrosine-protein kinase Src | Dasatinib® | 488 |
10 | 1be9 | PDZ-domain | KQTSV | 544 |