XtalPi's PROTAC discovery platform, X-Degrader™, includes a series of in-silico design and evaluation tools developed specifically for PROTAC. It combines the small molecule discovery platform ID4Inno, integrated synthesis and biological testing to form an integrated R&D platform.
The proprietary X-Degrader™ PROTAC discovery platform enables prediction for PROTAC-mediated ternary complex stability with high accuracy.
Multi-dimensional, high-accuracy PROTAC computational platform
The automated wet lab efficiently empowers PROTAC synthesis
Comprehensive preclinical biological testing platform for PROTAC molecules
High-precision predictive capability for ternary complex
X-Model, a XtalPi's proprietary model for constructing ternary complexes, is at the forefront of the industry. This model has excellent protein docking capabilities, and the proprietary scoring function can quickly and accurately select the optimal binding pose for PROTAC. It has a superior performance in reproducing reported ternary complex structures solved by X-ray.X-model reproduces X-ray ternary complex crystal structures
Diverse and vast Linker library
The platform relies on over 6,200 linkers from patents and literatures in PROTAC development (continuously updated). The library is 4 times larger than the current open-source databases, providing more drug-like linkers for PROTAC molecule design. At the same time, based on XtalPi's powerful AI learning capabilities, thousands of novel linkers can be generated to provide additional options for PROTAC molecule design.AI-based linker generation
Efficient linker screening technology
Based on the rich linker library, preliminary filtering is performed using QSAR and other methods, and PROTAC molecules with optimal linkers are quickly discovered based on the proprietary evaluation index (Xscore-S). Multiple recommended molecules have shown excellent degradation activity as verified by experimental tests.
Automated synthesis platform efficiently empowers PROTAC molecules synthesis
PROTAC pipelines involve challenging synthesis of molecules in large numbers with multiple parallel reactions. XtalPi's unique automated synthesis workstations can efficiently empower PROTAC synthesis.
Comprehensive PROTAC biology testing platform
XtalPi has built a comprehensive PROTAC biological testing platform to meet a variety of pre-clinical testing requirements
Affinity measurement: E3 ligand (CRBN, etc.)-compound affinity measurement with HTRF, target protein-compound affinity measurement with fluorescence polarization (FP)
Target protein degradation measurements: Nano-Glo HiBiT HTS, cell-based HTRF HTS, Western Blot
Target downstream cytokine measurements: ELISA
Cell proliferation measurement technology (CTG, etc.)
ADME testing, etc.