30 January 2010

Commercial fragments – 2010 edition

A particularly active discussion on LinkedIn has prompted us to update the list of commercially available fragments - looks like a number of new additions since our last post. Note that we are restricting this list to suppliers specifically offering fragments, as opposed to general compound libraries (which of course will likely contain many fragments, but will make this list too unwieldy, and are probably less of a go-to source for people just entering the field).

4500 Rule of 3 (RO3) compounds
1800 compounds MW < 250, solubility > 0.1 mM (PBS) and > 10 mM (DMSO)

ChemBridge Corporation
~5000 RO3 fragments

~1900 fragments, expanding to "3-D" fragments

1190 fragments w. strict Rule of 3
11,717 fragment extension set

140 “3-D” fragments
198 diverse fragments

Iota Pharmaceuticals
Focused on fragment-based discovery
1500 fragments available for purchase
4000 additional fragments in collaboration with Vitas-M

Key Organics
6335 RO3 fragments

Life Chemicals
22,000 fragments w. MW < 300, clogP < 3
9000 fragments with rotatable bond, PSA, HBA limits

Maybridge (Thermo Fisher Scientific)
30,000 fragment library (MW < 350)
1000 RO3 fragments w. aqueous solubility > 1mM
1500 Br- and 5300 F- containing fragments

~3800 fragments, mostly RO3 (increased HB acceptors for kinases)
All have at least one ring; filtered to remove certain functionalities

Prestwick Chemical
720 fragments including known drugs, RO3 compliant

Pyxis (with Merachem)
317 RO3 fragments from drugs and natural products
Filtered to remove certain functionalities

Zenobia Therapeutics
352 very small fragments (Avg. MW 155)
Verified solubility at 200 mM in DMSO

I’ve also been told that BioFocus sells fragments, but can’t find this on their web-site.

Finally, Cambridge MedChem Consulting has a nice list with more detailed descriptions of many of these suppliers.

Are there companies we’re missing? Does anyone have any experience with any of these that you would like to share?


Ali Munawar said...

I am sure the list of fragment library providers has grown since this article was compiled.

Are there any fragment libraries best suited to target protein-protein-interactions?

Dan Erlanson said...

I think the jury is still out on what kinds of fragments are best for PPIs - I'll have a post that touches on that up next week.

Regarding commercial suppliers, check out this post: