COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION

We offer special molecular sets, created using complex computational optimization, which allows to maximize diversity and exclude potentionally problematic molecules. They are specifically developed to provide efficient start to research project or to expand a current one.

Targeted Libraries: 

In order to assist researchers with expanding their projects or  jump-starting a new one, we offer special targeted molecular libraries,
which are calculated using complex in-house algorithms. These libraries are  designed based on similarities with existing compounds that have known   activity towards specific targets. Our targeted libraries are designed in a   way that maximizes structural diversity and excludes problematic compounds.   All compounds in targeted libraries have no more than 30 analogues for each 
reference compound with Tamimoto coefficient >0.9. All compounds follow  Rule-of-Five. We offer special libraries for various subsets of targets:  



  ATPases (ATPMARK - 3662 compounds)
 Avian Influenza focused library (AVINMARK - 1456 compounds). 
 Bacterial Protein Synthesis Inhibitors Library (BPSILMARK - 1508 compounds).
 Bacterial Cell Wall Proteins Library (BACCWMARK – 821  compounds).
 Calcium Channels Library (CALCMARK - 8614 compounds).

 Cancer-related proteins (CANCERMARK - 26190 compounds)
 Caspases (CAPSMARK -7518 compounds)

 Coronaviral proteins (COVMARK - 10027 compounds)
 Coronaviral proteins (COVMARK2 - 15556 compounds).
 Cysteine Proteases Library (CYPMARK - 2192 compounds).

 Cytochromes (CYTMARK - 3961 compounds)
 DNA Polymerases Library  (DNAPMARK – 8175 compounds)
 Focused Arginase Library (FARGMARK - 1049 compounds).

 GABA Receptors (GABAMARK - 7362 compounds).

 General Antiviral Library (VIRMARK - 25758 compounds, March 2024 update).
 General Bacterial Proteins (BACPMARK – 27248 compounds).
 Glutamate Receptors proteins (GRMARK - 2359 compounds).
 GPCP Proteins (GPCPMARK - 6969 compounds).

 Helicases (HELMARK - 6579 compounds)
 Hedgehog Pathway Proteins Library (HHPMARK - 7811 compounds).
 Hepatitis - Associated Proteins (HEPAMARK - 4119 compounds).

 HIV-related proteins (HIVMARK - 6193 compounds)
 Immune system proteins (IMMMARK - 3111 compounds)
 Inflammation-related proteins (IAMARK - 5337 compounds)
 Ion Channels (IONMARK - 13149 compounds)
 Isomerases (ISOMARK - 4002 compounds).
 Kinases (KINASEMARK - 5840 compounds)
 Kinases (KINASEMARK2 - 1764 compounds)
 Ligases (LIGASEMARK - 7261 compounds)
 Macrocycles – 559 compounds
 Neurotransmitter transporters (NTMARK - 1840 compounds)
 Nuclear Receptors proteins (NRMARK – 6372 compounds)
 Phosphatases (PHOSMARK - 3191 compounds)
 Proteases (PROTEASEMARK - 2483 compounds)
 Proteases (PROTEASEMARK2 - 8991 compounds)
 Retroviral Proteins (REVIRMARK – 5150 compounds)
 RNAs (RNAMARK - 3216 compounds)
 Serine Proteases Library (SEPMARK - 3630 compounds).
 Streptococcus focused library (STREPMARK - 1317 compounds). 

 Transcription factors (TRFMARK - 5985 compounds).

 Transferases (TRANSMARK - 11288 compounds)
 Tuberculosis-related proteins (TUBMARK-4977 compounds) 
 Voltage-Gated Ion Channels Library (VGICMARK - 10734 compounds).
  
And we also offer a specialized CNS-focused library of small molecular compounds, It includes 4247 compounds, optimized based on high predicted BBB permeability and bioavailability.


 
 

 Diversity Libraries: 

   Avenue diversity library (3400 compounds) is optimized for smaller-scale
   assays with emphasis on keeping database size manageable without losing
   structural variety. Compounds were selected as represenatives of structural
   clusters with highest structural distance to provide maximum chemical
   diversity.
   -

   Broadway diversity library (32600 compounds) is an expanded library that
   provides even larger variety of pharmacophores and structural features.
   This is a library of choice if you want to cover wider range of possible
   interactions or looking to expand your compound selection.
   -

   Highway diversity library (51000 compounds) is designed to be used
   either as a stand-alone or as a supplementary to Broadway diversity library
   to maximize potential interactions. It includes additional compounds,
   including "wildcard" ones, that did not make it to smaller libraries, but
   represent broader range of characteristics and further expand structural
   diversity.


  We can also provide access to a special subset of our diversity library, filtered to minimize potential toxicity upon your request.

 

You can download special databases as well as our other products on this here. Libraries are available as 96 and 384-wells plate sets, as dry powder or frozen DMSO solutions, or on a dry film. We can provide collections in other formats, including your own, if requested. Partial purchase option is available.

We will also be happy to replenish molecules, should you require them later as well as supply you compounds with related structural properties.

If you have any specific needs for your project, we can provide adjusted compound library based on your request. Feel free to download the brochureFor any further questions and additional information,  please  contact our sales office:   This e-mail address is being protected from spambots. You need JavaScript enabled to view it

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