Molecular Glue (0)

Molecular glues are small-molecule degraders that induce targeted protein degradation via the ubiquitin-proteasome system by stabilizing E3 ligase–target ternary complexes to trigger ubiquitination. They outperform conventional inhibitors and PROTACs with smaller size, simpler structures, better drug-likeness and greater oral potential, unlocking "undruggable" targets. AiFChem rationally designed 344 diverse molecular glue scaffolds based on VHL and CRBN cores. Retaining key E3-binding pharmacophores, the library expands diversity across ring systems, linkages and 3D conformations. Compact and highly modifiable, they are premium starting points for E3 recruitment research, TPD screening and SAR optimization.