Burger line Burger line Burger line
Logo Logo Logo
Burger line Burger line Burger line
Sign in
Sign in

RORγ Library

Preferred format:
Desirable size of the custom library selection:
  • Mg
  • uMol

ChemDiv's RORγ Library contains 13,000 compounds

RORγ (nuclear receptor) is a master regulator of Th17 cell development, therefore it is an attractive target for the treatment of autoimmune diseases.
More than 500 publications has been indexed in the Pubmed database since 2019
More than 32 newly deposited structures in the PDB database since 2019
More than 4k associated bioactivities (ChEMBL database)

Design Strategy

RORγ’s binding site is highly lipophilic; one should avoid getting hits from too lipophilic compounds with sub-optimal ADME properties. However, some minimum level of logD is nevertheless required for activity.
1. “LogD control”: compounds are in the logD range 2 – 5.
2. Structure-based design using high quality crystal structures.

- Selection of ~700K compounds using MedChem filters and clogD criteria  
- Molecular docking via ICM docking engine focused the screening library to 170K compounds
- High precision docking (Flare5) helped to select 50K compounds with top scores
- Diversity picking of selected compounds yields 13k compounds
- Distributions of basic physicochemical properties and representative structures are shown in the following slides

0
Cart Subtotal:
Go to cart
You will be able to Pay Online or Request a Quote

We use "cookies*  to ensure the functionality of our website, recognise your browser or device, learn more about your interests, and provide you with essential features and services and for additional purposes, including:

Recognising you when you sign-in to use our services. This allows us to provide you with product recommendations, display personalised content, and provide other customised features and services.
Keeping track of your specified preferences. You may set your preferences through Your Account..
Keeping track of items stored in your shopping basket and personal cabinet.
Conducting research and diagnostics to improve ChemDiv’s content, products, and services.
Delivering content, including ads, relevant to your interests on ChemDiv’s site
Reporting. This allows us to measure and analyse the performance of our services.

By  cookies you give consent to the processing of your personal data, including transfer to third parties. Further information can be found in our privacy policy.

Accept all cookies