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. Author manuscript; available in PMC: 2020 Feb 14.
Published in final edited form as: J Med Chem. 2019 Feb 5;62(3):1643–1656. doi: 10.1021/acs.jmedchem.8b01958

Figure 2.

Figure 2.

Identification and structure assignment of HTS hit AW01275 as thiourea DO130. (A) An originally assigned chemical structure and 1H-NMR of AW01275 (DO127) and its structurally related analogues, DO129 and DO130. The 1H-NMR spectra were measured in CDCl3 with D2O. (B) ABHD12 inhibitory activity of AW01275 (obtained from a commercial source), DO127, DO129, and DO130 as measured by gel-based ABPP of mouse brain membrane proteome (1 mg/mL protein) using the JJH350 probe (2 μM, 45 min, 37 oC). (C) An X-ray crystal structure of AW01275 obtained from a commercial source.