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PD-1/PD-L1 Lead-like Library

Cat. No.: HY-L948

PD-1/PD-L1 are key immune checkpoint targets that suppress T-cell-mediated anti-tumor immunity, representing a major focus in cancer immunotherapy. While antibody drugs dominate the clinic, they are limited by administration challenges and immune-related side effects. Small-molecule PD-1/PD-L1 inhibitors, with oral availability, good tissue penetration and low cost, have emerged as a promising next-generation strategy.

A PD-1/PD-L1 lead-like library was built via a five-step virtual screening process. After collecting 8,947 inhibitors from BindingDB and PubChem and filtering by activity and duplicates, AI similarity screening was performed using GeminiMol. Key pharmacophores were extracted from the PPI interface of co-crystal structures, and molecular was screened via a pharmacophore model, effectively enhancing target activity.

Containing 10,000 structurally diverse and drug-like molecules well-matched to the PD-L1 pocket, the library supports virtual docking, high-throughput screening and hit discovery, enabling efficient and rapid development of small-molecule immunotherapies.

  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack
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Description & Advantages

•    A unique library comprises 11520 compounds with diverse and drug-like，designed for the research and development of PD-1/PD-L1 inhibitors.

•    Identified via AI-aided pharmacophore screening, it is applied to the screening of novel PD-1/PD-L1 inhibitors.

•    All compounds are available off the shelf.

•    All compounds are validated by LC-MS or NMR to ensure high purity and quality.

Product Details

Formulation:

A lead-like library targeting PD-1/PD-L1, constructed by AI-aided pharmacophore screening, with high pocket matching and favorable druggability.

Container:

96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode.

Storage:

-80°C

Shipping:

Blue ice or dry ice

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    Product Name:
    PD-1/PD-L1 Lead-like Library
    Cat. No.:
    HY-L948
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    • 96-well Plate with Peelable Foil Seal
    • 384-well Microplate with Peelable Foil Seal
    • 96-well Storage Tubes with Rack
    • 96-well Plate with Peelable Foil Seal
    • 384-well Microplate with Peelable Foil Seal
    • 96-well Storage Tubes with Rack

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