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. 2022 Dec 29;66(1):934–950. doi: 10.1021/acs.jmedchem.2c01789

Figure 5.

Figure 5

Differences between 3C-length 4-aminobenzyl and 4-hydroxybenzyl moieties. (A) Chemical structures of three related compounds of amino benzyl with varied carbon length from 1–3-carbons. (B) Summary of inhibition (IC50), dissociation constant (KD), and X-ray information (PDB). (C) Superimposition of chains of 1C- (PDB 8CXU), 2C- (PDB 8CY2), and 3C-length with the 3C-aminobenzyl moiety forming a H-bond with the carboxylate group of Glu175 (PDB 8CY3). (D) Superimposition of 3C-aminobenzyl (PDB 8CY3) and 3C-hydroxybenzyl moiety (PDB 8CY4) with the terminal amino group or hydroxy oxygen atom forming a H-bond with Glu175.