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Table 1 Test systems

From: Systematic exploration of multiple drug binding sites

# 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
  1. aPDB ID of the holo X-ray structure
  2. bMolecular weight of the ligand