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Structure-Guided Design and Development of Novel Cyclophilin A Inhibitors and Ganoderiol-F Derivatives: An In-Silico Approach
Published on: June 23, 2026
Molecular design, synthesis, and structure-Activity relationships leading to the potent and selective p56(lck)
Jagabandhu Das1, James Lin, Robert V Moquin
1Bristol-Myers Squibb Pharmaceutical Research Institute, 08543-4000, Princeton, NJ, USA. jagabandhu.das@bms.com
Bioorganic & Medicinal Chemistry Letters
|June 12, 2003
Abstract:
A series of structurally novel benzothiazole based small molecule inhibitors of p56(lck) were prepared to elucidate their structure-activity relationships (SARs), selectivity and cell activity in the T-cell proliferation assay. BMS-243117 (compound 2) is identified as a potent, and selective Lck inhibitor with good cellular activity (IC(50)=1.1 microM) against T-cell proliferation.

