OTUB1 Covalent Ligands from SAR Studies for Targeted Protein Stabilization

Structure–activity relationship data for novel covalent ligands of the OTUB1 deubiquitinase. The dataset, shared by Xiangyang Song on figshare, describes the discovery of compound MS8572, which features a new heterocyclic core and was used to develop a CFTR DUBTAC. The data was last updated on May 5, 2026.

Use Cases

• Training predictive models for ligand efficacy based on structure-activity relationship data.
• Screening for selective OTUB1 covalent binders based on reported compound properties.
• Designing new deubiquitinase-targeting chimeras (DUBTACs) based on the lead compound MS8572.

Strengths

• Dataset is shared under a specific CC-BY-NC-4.0 license, clarifying reuse terms.
• Description provides specific compound names (EN523, MS8572) and a biological target (OTUB1).
• The lead compound MS8572 is described with specific improved properties like enhanced stability and aqueous solubility.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is very small at 2.4 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Likely contains results from structure–activity relationship studies of the OTUB1 ligand EN523.

Freshness

Last updated 2026-05-05 06:17:21; freshness should be verified.