Chemspace Covalent Modifiers Description Compounds that possess - PowerPoint PPT Presentation

Chemspace Covalent Modifiers

Description Compounds that possess moieties able to react with biological molecules in the cell have been overlooked in drug discovery research projects for a long time. Character of the investigation did not allow to suppose direct binding between the target and the agent. Covalent modifiers have a scaffold capable of accommodating a reaction moiety, otherwise known as the warhead, which improves the binding affinity and selectivity by forming a covalent interaction with a protein reactive residue. Now molecules with covalent warheads attract researchers’ attention as possible antiviral, antibacterial and anticancer agents.

Selection We have selected a library from the Chemspace Selected Screening set: each compound contains possible covalent binder. Warheads include alkyl thiols, oxetane rings, sulfonyl halides, Michael acceptors, etc. Please discover our Covalent Fragments – Library size : 71 396 in-stock compounds set of small molecules with covalent 243 273 make-on-demand compounds warheads. You can order full set or selected subset based on your criteria; all compounds are supplied as powders, solutions, or dry films. Please contact us at sales@chem-space.com for more information.

PhyChem properties Heavy Atoms TPSA 50 50 40 40 % of compounds % of compounds 30 30 20 20 10 10 0 0 15 18 21 24 27 30 20 40 60 80 100 120 140 Fsp 3 Rotatable Bonds 30 35 30 25 % of compounds % of compounds 25 20 20 15 15 10 10 5 5 0 0 0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 0 1 2 3 4 5 6 7 8 9 10

Chemspace Compound sets Discover our Fragment Libraries : General Fragments Fluorine and Heavy Fragments • • 3D-Shaped Fragments Selected Fragments • • Acid and Amine Fragments Singleton Fragments • • Covalent Fragments Saturated and Spiro Fragments • • All libraries’ names are clickable links. Visit www.chem-space.com/flyers to find more Chemspace presentations!

Chemspace Compound sets Discover our Screening compounds : ChEMBL analogs High QED compounds • • CNS-Focused library Phenotypic Screening set • • Covalent Modifiers PPI Modulators • • Drug Impurities Pre-Plated compounds • • Drug Repurposing RNA-Targeted library • • Framework-Derived set Virtual Screening set • • All libraries’ names are clickable links. Visit www.chem-space.com/flyers to find more Chemspace presentations!

Thank You! The Chemspace Team

Chemspace Covalent Modifiers Description Compounds that possess - PowerPoint PPT Presentation

Chemspace Covalent Modifiers Description Compounds that possess moieties able to react with biological molecules in the cell have been overlooked in drug discovery research projects for a long time. Character of the investigation did not allow

Chemspace Covalent Fragments Description Many drugs people have been using for a really long

Chemspace Heavy Fragments Description Aside of NMR, X ray crystallography is a technique that

Chemspace Framework-Derived Set Description We are willing to provide our users with various

Chemspace KNIME nodes Chemspace Search Chemspace KNIME nodes Chemspace Search and Chemspace

Chemspace Selected Fragments Description Hit follow-up usually shifts its physChem parameters to

Chemspace Phenotypic Screening Set Description Phenotypic screening (PS) is one of the two major

Chemspace Virtual Screening Set Description Virtual screening (VS) has been a tool to identify

Chemspace ChEMBL sets Description Searching analogs to compounds with the known activity is

Chemspace Saturated Fragments Description With shift from the highly aromatic/olefinic compounds

Chemspace RNA-targeted library Description RNAs participate in more cell mechanisms than it has

Chemspace Drug Impurities Description Drug impurities are undesirable compounds that accompany

Chemspace Spiro Fragments Description Spirocyclic fragment contributes both to rigidity and

Chemspace Modifiable Fragments Acid fragments and Amine fragments Description Presence of

Chemspace Fluorine Fragments Description Presence of Fluorine atom has been noticed to improve

Chemspace Drug Repurposing Description Drug discovery is a cost-consuming process. Different

Chemspace 3D-Shaped Fragments Description The shape of the molecule is an important factor in

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Chemspace Covalent Modifiers Description Compounds that possess - PowerPoint PPT Presentation

Chemspace Covalent Modifiers Description Compounds that possess moieties able to react with biological molecules in the cell have been overlooked in drug discovery research projects for a long time. Character of the investigation did not allow

Chemspace Covalent Fragments Description Many drugs people have been using for a really long

Chemspace Heavy Fragments Description Aside of NMR, X ray crystallography is a technique that

Chemspace Framework-Derived Set Description We are willing to provide our users with various

Chemspace KNIME nodes Chemspace Search Chemspace KNIME nodes Chemspace Search and Chemspace

Chemspace Selected Fragments Description Hit follow-up usually shifts its physChem parameters to

Chemspace Phenotypic Screening Set Description Phenotypic screening (PS) is one of the two major

Chemspace Virtual Screening Set Description Virtual screening (VS) has been a tool to identify

Chemspace ChEMBL sets Description Searching analogs to compounds with the known activity is

Chemspace Saturated Fragments Description With shift from the highly aromatic/olefinic compounds

Chemspace RNA-targeted library Description RNAs participate in more cell mechanisms than it has

Chemspace Drug Impurities Description Drug impurities are undesirable compounds that accompany

Chemspace Spiro Fragments Description Spirocyclic fragment contributes both to rigidity and

Chemspace Modifiable Fragments Acid fragments and Amine fragments Description Presence of

Chemspace Fluorine Fragments Description Presence of Fluorine atom has been noticed to improve

Chemspace Drug Repurposing Description Drug discovery is a cost-consuming process. Different

Chemspace 3D-Shaped Fragments Description The shape of the molecule is an important factor in

Affinity Care Affinity Care Shipley and Westcliffe Medical Practices A new chapter Background

IMPLICIT BIAS AND WHITE PRIVILEGE Race, Racism and the Ramifications for Philanthropy Debate vs.

A Global Leader in P&amp;C Insurance Third Quarter 2018 Third Quarter 2018 The Chubb name

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INVESTOR PRESENTATION FIRST QUARTER 2016 ASSOCIATED BANC-CORP FORWARD-LOOKING STATEMENTS

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