FYJ-195: Molecular Structure and Potency Data for an FLT3 Inhibitor

Jin Yang published a dataset on figshare in 2026 detailing the discovery of FYJ-195, a potent FLT3 inhibitor for acute myeloid leukemia. The data includes in vitro IC50 values against resistant FLT3 mutants and in vivo tumor growth inhibition results from xenograft models. The dataset is stored in a PDB file format and is 347.1 KB in size.

Use Cases

• Predicting drug binding affinity based on the provided molecular structure (PDB file).
• Benchmarking new FLT3 inhibitors against the reported IC50 values for specific resistance mutations (F691L, D835V/Y).
• Modeling in vivo efficacy using the provided tumor growth inhibition (TGI) percentages from mouse models.

Strengths

• Includes specific, single-digit nanomolar IC50 values (e.g., 0.76 nM, 4.64 nM, 9.09 nM) for key resistance mutations.
• Reports concrete in vivo efficacy metrics, including 125% tumor regression and 68.6% growth suppression in specific models.
• Provides the molecular structure in a standard, machine-readable PDB format.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset's 347.1 KB size indicates a very limited scope, likely containing only core structural and assay result data.

Provenance

Source

Jin Yang via figshare.

Collection Method

Likely contains data from structure-guided optimization, biochemical assays, and in vivo xenograft studies as described.

Freshness

Last updated 2026-05-23 13:34:59; freshness should be verified.