Fig. 7.

Crystal structure of cIAP1^Bir3–compound 33–BTK^KD ternary complex (PDB 6W7O). The cIAP1 ligand of 33 forms a π-cation interaction with cIAP1^R314 and hydrogen bonds with cIAP1 residues G312, R314, D320, E325, and W329. The linker carbonyl interacts with BTK^C481 through hydrogen bonding. The BTK ligand forms hydrogen bonds with BTK residues E475 and M477 while the difluorophenyl group π–π stacks with BTK^F540. Image created using Schrödinger Bioluminate with PDB 6W7O. BTK^KD is depicted in cyan and cIAP1 in brownish orange