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Fragments for easy-to-analyse protein-ligand interaction

1 500 compounds

Recently, it was proposed that fragments with a single pharmacophore (i. e. polar group or other moiety for binding to a protein) have advantages over those with multiple, distally separated functional groups. This design approach is believed to maximize the advantages of FBDD, first of all through increasing synthetic capabilities of the fragment growth at the hit follow-up step. Applying these guidelines, we have created a library of single pharmacophore fragments.

Typical Formats

Catalog No.
Compounds
Amount
Format
Price

Catalog No.

SPF-1500-10-Y-100

Compounds

1 500
5 plates

Amount

10 µL of 100 mM DMSO stock solutions

Plates and formats

384-well microplates, Echo qualified Labcyte, 320 compounds per plate

Price

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Catalog No.

SPF-1500-25-Y-100

Compounds

1 500
5 plates

Amount

25 µL of 100 mM DMSO stock solutions

Plates and formats

384-well microplates, Echo qualified Labcyte, 320 compounds per plate

Price

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Catalog No.

SPF-1500-50-Y-100

Compounds

1 500
5 plates

Amount

50 µL of 100 mM DMSO stock solutions

Plates and formats

384-well microplates, Echo qualified Labcyte, 320 compounds per plate

Price

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Catalog No.

SPF-1500

Compounds

1 500

Amount

Custom

Plates and formats

Any custom format

Price

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Download SD file

Single Pharmacophore

Library code: SPF-1500

Version: 22 July 2020

1 500 compounds

Key features:

  • All the compounds pass both strict “ Ro2-like” physicochemical and most stringent in-house structural filters excluding PAINS, highly reactive and toxic motifs.
  • High variety of both pharmacophores and scaffolds bearing them
  • Rapid follow-up/fragment growth using both readily available in-stock and synthetic analogs from Enamine Fragments, Screening Collection and REAL Database

Examples of the molecules in the library

Molecular properties

 

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