Kinase

We are a pioneer in kinase library design, producing more than 35 focused libraries within the SoftFocus and FieldFocus kinase collection. An independent survey described our SoftFocus kinase libraries as “showing the greatest populations of kinase-like molecules¹” when compared to other collections.

Kinases play a vital role in cell physiology and can be implicated in a wide range of different pathologies, making them very important as potential targets for drug activity.

Please contact us for more information, or download datasheets and stock files from our secure website.

SoftFocus kinase

The SoftFocus libraries have been developed using a number of approaches in order to target several different binding modes:

• Hinge binding/ATP mimetic binding: selected to cover a broad spectrum of tyrosine and serine/threonine kinases, these libraries have been designed using our proprietary Kinase Toolkit, allowing us to select appropriate monomers to decorate scaffolds. Kinase Toolkit provides a 2D map of the key ligand-binding features of customized ATP sites and helps predict affinity, selectivity and possible off-target issues
• “DFG-out” model: more recently developed is a binding model which targets the DFG-out allosteric pocket next to the ATP site of the kinase. We have developed a generalized binding model for this DFG-out pocket, allowing us to target a range of inactive kinase conformations
• Novel binding modes: our newest design strategy is based on a novel binding mode observed in a potent SoftFocus compound which binds to the catalytic lysine residue of the kinase, making no contact with the hinge region. This is a unique method for kinase library design providing many new possibilities

Download more information about SoftFocus kinase libraries

FieldFocus kinase

The FieldFocus libraries have been developed using an in silico, fragment-based method to provide a complement to the structure-based approach used for SoftFocus kinase library design.

Building on the FieldAlign technology developed by our partner Cresset, which allows virtual fragment screening, we have approached kinase library design from a ligand perspective. Our approach is to match a series of fragments to a potent kinase inhibitor before using these fragments to generate novel scaffolds.

Download more information about FieldFocus kinase libraries

1. Sprous, DG et al., J Mol Graphics and Modelling 2006, 24(4), 278-295.

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