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The binding pose of the naphthylsulfonic acid core of the analogues was constrained to the leucine pocket, imitating the binding mode of 32 , whilst the substituted benzyl group was left unconstrained in the phenylalanine pocket

Data Availability All data generated or analysed during this study are included in this published article (and its Supplementary Information file)

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14 Present indications for use include pathologies such as multiple sclerosis (MS), AD, and other neurological, hematological, rheumatological, and nephrological conditions