按潜在通路靶点分类

靶向GPCR蛋白类药多样库

GPCR Targeted Diversity Library

A compound library can be used for efficient discovery of novel molecule targeting GPCR protein.

分子胶类似物库

Molecular Glue-like Compound Library

Compound in the library obtained through AI screening and molecular docking, making it a valuable tool for the discovery of molecular glues.

离子通道类药化合物库

Ion Channel Lead-like Compound Library

An ion channel lead-like compound library constructed through ligand-based AI screening models, with potential hERG toxic compounds excluded.

RNA 靶向化合物库

RNA Binding Library

5,000 small molecule compounds with potential RNA interaction activity. Powered by AI models (AUROC of 0.82 and high accuracy with ACC of 0.76).

靶向半胱氨酸蛋白酶共价化合物库

Cysteine Protease Focused Covalent Library

A compound library can be used for efficient discovery of novel covalent inhibitors of cysteine proteases.

靶向半胱氨酸蛋白酶化合物库

Cysteine Protease Focused Library

A compound library can be used for the efficient discovery of novel cysteine protease inhibitors.

MCE CNS BBB类药化合物库

MCE CNS BBB Lead-like Library

The CNS BBB Library is a collection of blood-brain barrier permeable compounds predicted by AI algorithms, with predicted value greater than 0.75.

CNS MPO类药化合物库

CNS MPO Lead-like Library

The CNS multi-parameter optimization (MPO) tool can probabilistically evaluates drug properties, covering ADME, BBB penetration, and safety. This compound library is screened for molecules with an MPO score >5.

去甲肾上腺素转运体化合物库

Norepinephrine Transporter (NET) Compound Library

Norepinephrine Transporter (NET) Compound Library is obtained by virtual screening based on HY-L901 50K Diversity Library. It can be applied in new drug discovery targeting noradrenaline transporter (NET).