ChemScene Kinase Hinge Binder Fragment Library
| Cat. No. : CS-L907 |
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| （12,417） |
| Library Contents: |
| The most prominent mechanism of action of kinase inhibitors is their competition with ATP by binding to the hinge region of the kinase protein. Once the kinase is blocked by an inhibitor, it loses the ability to transfer phosphate groups from ATP to other molecules, resulting in the loss of kinase activity. The hinge-binding region of kinase inhibitors mimics the interaction pattern between the ATP nucleobase and the kinase. ChemScene extracted thousands of kinase inhibitors from the ChEMBL database and isolated their molecular fragments. In certain cases, the amino and amide groups on the molecular fragments are crucial for binding in the hinge region. Therefore, we enhanced the diversity of the collected results by adding these two groups to unoccupied positions on the ring system. Subsequently, the fragments were assessed for their hinge region binding ability via docking at distinct kinases, we also applied pharmacophore constraints to ensure interactions with key amino acids in the kinase hinge region, ultimately obtaining kinase-related molecular fragments. ChemScene provides over 12,417 kinase fragment molecules that meet the above requirements and are available off the shelf, serving as an effective tool for screening and developing drugs targeting kinases. |
| Size (Pre-dissolved DMSO or Solid) | Stock | Price |
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| In-stock | Get quote |
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Data Sheet
Description & Advantages
Composition
| Formulation: | MCE kinase hinge-binding fragment library derived from kinase inhibitors, is optimized for hinge region binding and key amino acid interactions through molecular docking and pharmacophore constraints, making it a highly effective tool for screening and developing drugs targeting kinases. |
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| 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 |
• Fragments in this library are derived from thousands of kinase inhibitors found in the ChEMBL database, possessing a diverse range of scaffolds and functional groups.
• Molecular docking and pharmacophore constraints predict that these fragments may bind to the kinase hinge region.
• All compounds are available off the shelf.
• LCMS or NMR validated to ensure high purity and quality.
Browsing History
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