S1PR1 Agonist Selectivity Data for Cryo-EM Structures and Simulations

Figshare data supporting a study on sphingosine-1-phosphate receptor subtype selectivity. The dataset, created by Lei Yu and last updated in April 2026, contains underlying results for figures and tables. It is a 144.9 KB Excel file released under a CC-BY-4.0 license.

Use Cases

• Training predictive models for agonist selectivity based on structural binding pocket features.
• Validating molecular dynamics simulation results against experimental pharmacological assays.
• Analyzing the relationship between agonist molecular width and receptor subtype steric hindrance.
• Comparing ligand binding orientations across transmembrane helices 5–7 for different S1PR subtypes.

Strengths

• Data is directly linked to published cryo-electron microscopy structures and molecular dynamics simulations.
• File size is 144.9 KB, indicating a focused and manageable dataset for analysis.
• Released under a permissive CC-BY-4.0 license for open reuse.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.

Provenance

Source

figshare

Collection Method

Data generated from an integrated approach combining structural analysis, molecular dynamics simulations, and pharmacological assays.

Time Range

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Freshness

Last updated 2026-04-10 17:44:55; freshness should be verified.

Geography

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