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(A) Combinatorial modular design. The indicated individual modules of Gamitrinibs (mitochondrial targeting, linker, and Hsp90 inhibition) are indicated. G-G1, Gamitrinib-G1; G-TPP, Gamitrinib–TPP-OH; TBDPS, tert-butyldiphenylsilyl. (B) A 3D docking model of Gamitrinib-G1 with Hsp90 N-domain (top panel). The side chains of contact sites are labeled and in color. An overlay of Gamitrinib-G1 (red) and GA (gray) in the ATPase pocket of Hsp90 (bottom panel).
