Structural Models for Simplified Glucocorticoid Receptor Antagonists

A 305.2 KB collection of PDB files containing structural models for a series of simplified, non-azadecalin glucocorticoid receptor antagonists. The data was published by author Lorna A. Duffy on the figshare platform and was last updated in April 2026.

Use Cases

• Analyze the three-dimensional protein-ligand interactions of piperazine-based antagonists from the PDB files.
• Compare the simplified scaffold structures against the reference compound relacorilant (CORT125134).
• Identify key structural features in the PDB models that correlate with in vivo activity for three progressed compounds.

Strengths

• Data is recent, with a last update in April 2026.
• Provides specific structural models for three key compounds progressed to in vivo studies.

Limitations

• The dataset is very small at 305.2 KB, indicating limited scope.
• No quantitative assay data or columnar metadata is provided, only structural PDB files.

Provenance

Source

figshare, authored by Lorna A. Duffy.

Collection Method

Reported discovery and optimization from medicinal chemistry research.

Time Range

null

Freshness

Last updated 2026-04-07.

Geography

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