Benzofuran Oxoacetic Acid EPAC1 Activator Structures

PDB files contain molecular structures for benzofuran oxoacetic acid compounds synthesized as EPAC1 activators. The dataset, created by David Morgan, includes compounds like DM244, DM357, and DM408 evaluated for binding bias and cellular activity in fibrosis-relevant assays. The total file size is 451.1 KB.

Use Cases

• Analyze PDB structures of compounds like DM244 and DM408 to model interactions with EPAC1 CNBD domains.
• Compare molecular features of EPAC1-favoring analogues (DM244) versus EPAC2-favoring ones (DM312) to study signaling bias.
• Use structural data to investigate potency optimization for antifibrotic effects, referencing midmicromolar potencies from cellular assays.
• Cross-reference compound structures with activity data on IL-6/STAT3 signaling attenuation in human umbilical vascular endothelial cells.

Strengths

• Includes specific, named experimental compounds (e.g., DM244, DM312, DM408) with documented biological evaluations.
• Data originates from a published research study on EPAC1 pathway probes, providing experimental context.
• File size of 451.1 KB indicates a focused collection of molecular structure data.

Limitations

• The dataset is very small in scale (451.1 KB), limiting the scope for large-scale computational analysis.
• Lacks tabular data or quantified measurements; primarily contains structural PDB files without accompanying numerical assay results.
• Temporal coverage and sample size (rows/columns) are unknown, restricting reproducibility assessments.

Provenance

Source

figshare, author David Morgan.

Collection Method

Convergent chemical synthesis and biological evaluation in cellular assays (e.g., EPAC1-transfected U2OS, human umbilical vascular endothelial cells).

Time Range

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Freshness

Last updated March 14, —.

Geography

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