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Structure–activity relationship studies on CXCR4 antagonists, which were previously found by using cyclic pentapeptide libraries, were performed to optimize side-chain functional groups, involving conformationally constrained analogues. In addition, a new lead of cyclic pentapeptides with the introduction of a novel pharmacophore was developed.

Graphical abstract: Structure–activity relationship studies on CXCR4 antagonists having cyclic pentapeptide scaffolds

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