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. Author manuscript; available in PMC: 2024 Nov 5.
Published in final edited form as: Eur J Med Chem. 2023 Jul 11;259:115632. doi: 10.1016/j.ejmech.2023.115632

Figure 6.

Figure 6.

A: Schematic overview of the target engagement study of electrophilic fragments with Casp2. After incubation of the fragment compound with the target enzyme, a trypsin digest was performed with downstream LC-MS/MS analysis to detect the bound fragment at the active site cysteine Cys320. Created with BioRender.com. B: Mass spectrometry (MS) chromatogram of the adducted peptide MFFIQACR with electrophilic fragment 17 (GPHR-00355781). Sequence analysis by MS confirms fragment binding at active site Cys320. Columns b+/b2+ and y+/y2+ (single/double charge) represent the MS results of stepwise fragmentation of peptide “MFFIQA(C-fragment)R” (b: C-terminal fragmentation; y: N-terminal fragmentation).