CA IX Mimic Complexed with Steroidal Sulfamate STX 49: Inhibitory Activity Data

A study by Jacob T. Andring at the University of Florida reports inhibitory activities of steroidal and nonsteroidal sulfamate derivatives against Carbonic Anhydrase IX (CA IX), a biomarker for aggressive cancers. The description indicates some compounds demonstrated 100-200-fold selectivity for CA IX over the ubiquitous CA II isoform. X-ray crystallographic studies of four promising compounds were conducted to reveal isoform-specific residue interactions.

Use Cases

• Predicting drug binding affinity based on X-ray crystallographic structures of compound-CA IX complexes
• Modeling isoform selectivity for CA IX over CA II based on inhibitory activity data
• Identifying structural features of steroidal sulfamates linked to microtubule disruption and anti-angiogenic activity

Strengths

• The description reports compounds with 100-200-fold selectivity for CA IX over CA II
• X-ray crystallographic studies were performed on four of the most promising compounds

Limitations

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

Provenance

Source

University of Florida

Collection Method

X-ray crystallographic studies and inhibitory activity assays are mentioned in the description.