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. 2022 Sep 28;65(19):13029–13040. doi: 10.1021/acs.jmedchem.2c00877

Figure 2.

Figure 2

Overview of experimentally determined proton–proton distances that were used to determine the solution conformations of PROTACs 1–3. Red arrows indicate long-range NOEs between protons in the BRD4 and CRBN ligands, while all other NOEs are indicated by blue arrows. Temperature coefficients (Δδ/T, ppb/K) for the NH protons of 1–3 in CDCl3 are given in red adjacent to each NH proton. An absolute value for Δδ/T of <3 indicates the NH to be involved in a strong intramolecular hydrogen bond (IMHB) or shielded from the solvent, while larger values indicate that the environment of the NH varies with the temperature.37 Atoms 2–5 have been labeled for PROTAC 3.