Therapeutic target database

Therapeutic Target Database provides curated, target-centric data linking therapeutic targets to drugs, prodrugs, poor binders, non-binders, co-targets, structure-activity landscapes, and drug-like property profiles to support drug discovery.

Key Features:

• Extensive Data Collection: Contains 34,861 poor binders and 12,683 non-binders for 1,308 targets, 534 prodrug–drug pairs linked to 121 targets, 1,127 co-targets for 672 targets regulated by 642 approved drugs and 624 drugs in clinical trials, structure–activity landscapes of 427,262 active agents targeting 1,565 proteins, and drug-like property profiles for 33,598 agents across 1,102 targets.
• Advanced Search Capabilities: Supports querying multi-entry target sequences and drug structures for targeted retrieval and comparative analyses.
• Integration with Structural Databases: Provides cross-links to the Protein Data Bank (PDB) and AlphaFold for molecular-structure context.
• Coverage of Emerging Entities: Includes data on 159 newly identified targets and 1,658 new drugs.

Scientific Applications:

• Multi-target strategy development: Enables identification and analysis of co-targets to support multi-target drug design.
• Off-target and safety assessment: Provides data on off-target relationships and non-binders to inform selectivity and risk evaluation.
• Structure–activity relationship analysis: Supplies large-scale structure–activity landscapes for optimization of active agents.
• Drug-likeness and lead refinement: Offers drug-like property profiles and poor-binder/non-binder data to aid in refining discovery and lead optimization processes.
• Structure-guided interpretation: Links to PDB and AlphaFold to facilitate interpretation of target conformations and ligand interactions.

Methodology:

Provides cross-links to PDB and AlphaFold and supports advanced searches of multi-entry target sequences and drug structures.