GST-Catalyzed Glutathione Conjugation Rates for Covalent Warheads

A 2.2 KB CSV dataset from figshare, authored by Lavleen K. Mader and last updated in May 2026. It contains quantitative assay results establishing glutathione S-transferase (GST) kcat and KM values for a panel of structurally diverse electrophilic warheads used in targeted covalent inhibitor development.

Use Cases

• Predicting metabolic clearance of covalent inhibitors based on GST susceptibility metrics.
• Modeling structure-activity relationships between warhead structure and enzyme-catalyzed conjugation rates.
• Benchmarking intrinsic reactivity measurements against GST-catalyzed rates for metabolic liability assessment.

Strengths

• Data is structured as a 2.2 KB CSV file, facilitating programmatic analysis.
• Quantitative assay results include GST kcat, KM, and kcat/KM values for a panel of warheads.
• License is CC-BY-NC-4.0, permitting non-commercial reuse with attribution.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Quantitative biochemical assay measuring GST-catalyzed conjugation rates.

Time Range

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Freshness

Last updated 2026-05-01 01:45:21; freshness should be verified.

Geography

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