Nim-benzyl-d-histidine is primarily utilized in biochemical research and pharmaceutical development. It serves as a key intermediate in the synthesis of peptides and peptidomimetics, which are crucial for studying enzyme interactions and designing drug candidates. Its unique structure allows it to mimic natural histidine residues, making it valuable in investigations involving histidine-based enzymatic mechanisms. Additionally, it is employed in the development of targeted therapies, particularly in cancer research, where it aids in the creation of compounds that can selectively inhibit tumor growth. Its application extends to the study of metal ion coordination in biological systems, contributing to advancements in understanding metalloprotein functions.