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. Author manuscript; available in PMC: 2021 Mar 11.
Published in final edited form as: J Am Chem Soc. 2020 Mar 1;142(10):4892–4903. doi: 10.1021/jacs.0c00193

Figure 4.

Figure 4.

Molecular docking of 14a (orange) and 14b (blue) in the active site of hOAT (left); Distance changes between NLys and Cδ /C4` of 14a and 14b during molecular dynamics (right).