2. 一站式药筛
  3. 化合物库
  4. 离子通道类药化合物库
离子通道类药化合物库 - Ion Channel Lead-like Compound Library

Cat. No.: HY-L923

离子通道是细胞膜上调控离子跨膜流动的关键蛋白，广泛参与神经传导、肌肉收缩、心跳节律、疼痛感知等几乎所有生理过程。其功能异常会导致心律失常、癫痫、高血压、神经性疼痛、癌症等多种重大疾病，因此离子通道是公认的重要药物靶点---目前全球已有超过15%的上市药物以离子通道为作用靶点，在心血管、神经、镇痛等领域具有不可替代的治疗价值。

MCE汇集了5000多种报道的离子通道相关活性化合物，主要靶向 Na+ 通道、K+ 通道、Ca2+ 通道、GABA 受体、iGluR 等，通过AI模型对化合物进行2D(分子指纹、药效团)和3D（空间构象）双重表征，筛选出与已知活性分子高度相似的结构类似物。同时，运用整合了XGB与ISE图谱策略的hERG通道预测算法，对化合物库进行全面的潜在心脏毒性评估并剔除，这一步骤可显著降低后续筛选中的安全性隐患，尤其对心血管相关离子通道药物研发（如 Nav1.5、Cav1.2）具有重要意义，能有效减少因 hERG 抑制导致的研发失败，是筛选离子通道药物的有用工具。

  • 96-well Plate with Peelable Foil Seal
  • 384-well Microplate with Peelable Foil Seal
  • 96-well Storage Tubes with Rack
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Compound Screening Libraries

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MCE 顾客使用化合物库产品发表的文献

  • 生物活性
  • 产品详情

活性描述 & 特点

Biological Activity

•    A unique collection of 9,000 ion channel lead-like compounds is available for high throughput screening (HTS) and high content screening (HCS).

•    All compounds have been using AI models to generate a collection of lead-like compounds highly similar to known active molecules.

•    The potential cardiac toxicity of compounds in the collection is assessed using an hERG channel prediction algorithm that integrates XGB and ISE mapping strategies.

•   All compounds are available off the shelf.

•   Validated by LCMS or NMR to ensure high purity and quality.

产品详情

Product Details

Formulation:

The collection of 9000 compounds obtained through AI screening and hERG channel prediction algorithm screening, making it a valuable tool for the discovery of ion channel drugs.

Layout:

96-well storage tube or 96-well plate: 1st and 12th column are left empty.
384-well plate: the first two columns and the last two columns are left empty.
Compounds with different concentrations or dissolved in different solvents will be put on separate plates. This way of layout may increase the number of plates because there could be three solvents and three concentrations.
If you have other requirements, please let us know.

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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  •  产品排布图
  •  浓度
  •  形式（固体或溶液）
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联系专家定制
  • 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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    产品名称：
    Ion Channel Lead-like Compound Library
    目录号：
    HY-L923
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