Virtual Libraries

Explore 3D chemical space through LCC’s virtual libraries, which have been enumerated based on our novel collection of sp³-rich synthons
1.4Bn ULVL, Focused Libraries, Covalent VL

1.4Bn Ultra-Large Virtual Library

3D-rich, stereodefined, diverse, novel, and synthetically tractable. The library has been designed by reaction-based enumeration of LCC’s proprietary (chiral) scaffolds, co-located with our parallel synthesis laboratory for rapid synthesis of hits.

How can the ULVL be used across Hit-ID and LO campaigns?

Novel: The ULVL has 99.96% unique compounds (exact structure search against PubChem, ChEMBL and SureChEMBL databases)
Diverse: Excellent diversity of ring sizes and ring systems, possessing highly diverse exit vectors of synthetic handles upon the core scaffolds
Developable: Each compound has 1000’s of pre-defined near-neighbour analogues which are accessible through robust chemistries in the PSL. In-house MedChem & CompChem support. In-stock building blocks for rapid resupply and SAR

Screen LCC's ULVL in 3D using OpenEye's Orion® platform, which provides accurate conformational sampling and retains the chirality.

Find out more about LCC’s ULVL

Kinase-Focused Virtual Library

LCC is excited to announce our new Kinase-Focused VL featuring pre-defined near-neighbour analogues:

4.5M member virtual library featuring LCC chirally-pure, 3D-rich synthons
Includes known hinge binding/allosteric motifs
Compounds can be rapidly synthesised in LCC Parallel Synthesis Laboratory

Covalent Virtual Library

Building on the foundations of our enantiopair fragment sets, we have continued our investment in the field to provide high-quality covalent compounds for drug discovery and chemical biology groups.

Our covalent VL includes >800k compounds functionalised with the same warhead and it has been enumerated based on the following scheme:

The workflow used for the enumeration is flexible and can be adapted to any commercial/bespoke warhead that can be installed on the reactive nitrogen.

All chemical transformations have been validated in our parallel synthesis lab as well as the incorporation of several common warheads.

Would you like to explore LCC’s Virtual Libraries?

LCC’s combination of novel synthons, computational expertise, and a parallel synthesis laboratory mean we can support your library needs. To read more about the value of partnering with us for virtual screening projects, please visit our parallel synthesis webpage. To discuss further, please get in touch.

Get in touch

Parallel Synthesis