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. 2015 May 6;11(6):2670–2679. doi: 10.1021/acs.jctc.5b00214

Table 1. JNK1 Ligands Studieda.

2.1.

2.1.

a

The reference ligand is shown in black, ligands with an R1 methoxy group are shown in red, and the additional ligands are shown in blue. Me is methyl, Ms is methanesulfonyl, and Ac is acetamide. Ref indicates the reference ligand, and Sym indicates the ligand is symmetric about rotation of the phenyl ring. These ligands have been studied experimentally.26 The crystal structure for 18634_2h96 is PDB 2H96(25) and the structure for 17124_2gmx is PDB 2GMX.26