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2 000 new building blocks are synthesized monthly. Here is an important update to our MedChem Highlights from December 2020

Recent News

  • 15 January 2021   News

    Open positions for Postdocs and Research Scientists

    We have several Postdoc positions in organic chemistry to work at Enamine Ltd. (Ukraine, Kyiv) on a ERC-project “Saturated bioisosteres of benzene.” Start: 1 April 2021 (or later).

    Please, send the application documents (motivation letter, CV, list of publications, recommendation letters) to Pavel.MykhailiukATmail.enamine.net

  • 11 December 2020   News

    ERC Consolidator Grant project 2020

    Congratulations to Pavel Mykhailiuk, Chief Scientific Officer at Enamine, for receiving ERC Consolidator Grant funding for the Project: BENOVELTY - Saturated bioisosteres of benzene and their application in drug design.

    The research will be carried out at Enamine Ltd in Ukraine, a global provider of chemical and biological services to biotech companies, academic institutions and research organisations.

  • 06 November 2020   News

    Enamine To Support IBM’s OpenPandemics COVID-19 Initiative With Unparalleled ...

    Enamine will provide chemical synthesis support for a global nonprofit research initiative OpenPandemics COVID-19, organized by Scripps Research and IBM, and aimed at rapidly identifying efficient new drugs against the coronavirus SARS-CoV-2. Enamine will be synthesizing any promising hits identified by the research team at OpenPandemics COVID-19 via large scale docking experiments.

Upcoming events

β-Catenin/TCF4 Protein-Protein Interaction Inhibitors library

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1 771 compounds

In order to model the interaction interface between β-catenin and Tcf-4 we used reported structural data (ACS Chem. Biol. 2014, 9, 193−201) to identify critical contacts including intriguing protonated pyridine (cation) – π-interaction between docked ligand and Arg474/515 tweezers. Taking into consideration topology of the hydrophobic pocket and H-bond of the aromatic NH2 group with protein’s Lys508 residue we built a respective pharmacophore model (Fig. 1). Docking and scoring of our medchem screening set (ca. 2 744 501 diverse drug-like compounds) yielded a focused selection of ca. 1 771 prioritized small molecules immediately available for screening.

 

Fig. 1.Binding interface between β-catenin and representative ligand from the focused subset.

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