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In silico modeling of the lead compound 6 in the DDB1–CRBN–CC-885–GSPT1 complex (PDB: 5HXB). (A) Compound 4 (gray sticks) relative position to 6 (green sticks) docked into the CRBN structure before (gray cartoon) and after 2 μs of MD simulation (green cartoon); (B) MD simulations predict compound 6 to be accommodated in a narrow hydrophobic pocket formed by CRBN residues (gold sticks) and GSPT1 residues (gray sticks).
