Cat. No.: HY-L907

MCE Kinase Hinge Binder Fragment Library

83 Cited Publications

Customer Review

Based on 83 publication(s) in Google Scholar

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. MCE 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.

MCE provides over 12,406 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.

For pre-dissolved solutions, 10 mM for compounds with the solubility not lower than 10 mM, and 2 mM for compounds with solubility between 2 mM and 10 mM.

PDF
Excel
SDF
Manual

Size

Price

Stock

Quantity

In-stock

(2-3 weeks)

Get a Quotation Now

In-stock

(2-3 weeks)

Get a Quotation Now

(2-3 weeks)

Amount: USD 0.00

* Please select Quantity before adding items.

Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Description & Advantages
Product Details
- Formulation
- Container
- Storage
- Shipping
Publications (83)
Documentation
Composition

Description & Advantages

• 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.

Product Details

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.

Solution: 12,354 compounds supplied in 10 mM solution, 11 compounds supplied in 2 mM solution.

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