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

Figure 4.

Figure 4

Effects of varying the carbon spacer between adenine-N6 and the phenyl ring. (A) Chemical structures of five related compounds with varied carbon length from one to five carbons. (B) Summary of inhibition (IC50), dissociation constant (KD), and X-ray information (PDB). (C, D) Two views of superimposition of chains of 1C- (PDB 8CXT), 2C- (PDB 8CXY), and 3C-length with the 3C-phenylpropyl moiety reaching to Glu175 (PDB 8CXZ). (E) 4-Phenylbutyl moiety points away from Glu175 and Tyr178 (PDB 8CY0). (F) 5C-Phenyl ring pushes the side chain of Glu175 away (PDB 8CY1).