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molecular-glue-discovery-agent
Maintainer FreedomIntelligence · Last updated April 1, 2026
Molecular glue discovery: induced proximity degraders and ternary complex stabilizers.
Original source
FreedomIntelligence/OpenClaw-Medical-Skills
https://github.com/FreedomIntelligence/OpenClaw-Medical-Skills/tree/main/skills/molecular-glue-discovery-agent
- Maintainer
- FreedomIntelligence
- License
- MIT
- Last updated
- April 1, 2026
Skill Snapshot
Key Details From SKILL.md
Key Notes
- The Molecular Glue Discovery Agent enables AI-driven discovery of molecular glue degraders that induce protein-protein interactions between E3 ligases and neo-substrates for targeted protein degradation. Unlike PROTACs, molecular glues are smaller, more drug-like molecules that can access previously "undruggable" targets through induced proximity mechanisms.
- When discovering new molecular glue scaffolds.
- For identifying neo-substrate targets for existing glues.
- To design glues for specific E3-substrate pairs.
- When optimizing glue selectivity and potency.
Source Doc
Excerpt From SKILL.md
Core Capabilities
-
Glue Scaffold Discovery: Identify novel molecular glue chemotypes.
-
Neo-Substrate Prediction: Predict proteins degraded by glues.
-
Interface Modeling: Model E3-glue-substrate ternary interfaces.
-
Selectivity Optimization: Design for specific substrate profiles.
-
SAR Analysis: Structure-activity relationship modeling.
-
Virtual Screening: Screen compounds for glue activity.
Molecular Glue Mechanisms
| Class | E3 Ligase | Mechanism | Example |
|---|---|---|---|
| IMiDs | CRBN | Degron recognition | Lenalidomide |
| CELMoDs | CRBN | Enhanced IKZF binding | Iberdomide |
| DCAF15 Glues | DCAF15 | Splicing factor degradation | Indisulam |
| CDK12 Glues | DDB1-CRBN | Cyclin K degradation | CR8 derivatives |
| β-catenin Glues | Novel | WNT pathway targets | Emerging |
Key Neo-Substrates
| Substrate | Glue Class | Disease Relevance |
|---|---|---|
| IKZF1/3 | IMiDs | Multiple myeloma |
| CK1α | Lenalidomide | MDS del(5q) |
| GSPT1 | CC-885 | AML |
| RBM39 | Indisulam | Solid tumors |
| Cyclin K | CR8 | Cancer |
| SALL4 | Thalidomide | Teratogenicity |
Use cases
- When discovering new molecular glue scaffolds.
- For identifying neo-substrate targets for existing glues.
- To design glues for specific E3-substrate pairs.
- When optimi.
Not for
- Do not rely on this catalog entry alone for installation or maintenance details.
Upstream Related Skills
- PROTAC_Design_Agent - Bifunctional degraders
- TPD_Ternary_Complex_Agent - Complex modeling
- Virtual_Screening_Agent - High-throughput screening
- Protein_Protein_Docking_Agent - PPI modeling
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