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Figure S1. Schematic representation of interactions between compound 17 and the JNK1 produced using the Ligplot program developed by Wallace et al.

Figure S2. Compound 17 docked in the binding pocket of JNK1 (cyan) aligned with JNK3 co-crystallized with compound 18 (PDB code: 2ZDU) (gray).

Figure S3. Molecular surface of the active pocket of JNK1 with docked compound 17 produced using the PyMOL program.

Table S1. Structures and biological activities of the studied JNK1 inhibitors.

Table S2. The predicted activities (PA) from GA-MLR and CoMFA models compared with the experimental activities (EA) and the errors.

Table S3. Structures and predicted pIC50 values of the designed compounds and compound 17.

FilenameFormatSizeDescription
CBDD_1068_sm_FigS1-3.doc873KSupporting info item
CBDD_1068_sm_TableS1-3.doc173KSupporting info item

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