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. 2024 Jan 27;14:2278. doi: 10.1038/s41598-024-52609-z

Figure 7.

Figure 7

The most stable structure of ponatinib (PNT_LE) and its stretched conformer (PNT_ST) obtained from the M062X-GD3/6-31G(d,p) calculations in water (PCM). Atom colors: carbon—cyan, nitrogen—dark blue, fluorine—yellow, oxygen—red, hydrogen—grey.