Targeting a Pleckstrin Homology Domain with a Lysine-Reactive Covalent Binder

27 crystal structures from a structure-binding relationship study for Bruton’s Tyrosine Kinase (BTK) inhibition. The dataset, authored by Rebekah M. West and last updated on 2026-05-14, explores targeting the PH domain with a covalent fragment that modifies a lysine in the PIP3 binding site.

Use Cases

• Developing covalent inhibitors based on the identified fragment that modifies a lysine in the PIP3 binding site.
• Evaluating PH domain inhibition strategies based on the pKa values of targeted lysines mentioned in the study.
• Conducting structure-activity relationship analysis based on the 27 crystal structures and analog 24 described.

Strengths

• Includes 27 crystal structures from the study.
• Identifies a best-in-class analog, 24, for PH domain inhibition.
• Dataset is licensed under CC-BY-NC-4.0, allowing for non-commercial reuse with attribution.

Limitations

• Dataset size is only 2.0 KB, indicating very limited scope and content.
• Row count and column-level documentation are 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

Likely contains experimental results from a structure-binding relationship study.

Time Range

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Freshness

Last updated 2026-05-14 08:30:31; freshness should be verified.

Geography

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