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TargetMol | Compound Library

High Solubility Pharmacophore Fragment Library

Catalog No. L7830

Fragment-based drug design has introduced a bottom-up process for drug development, with improved sampling of chemical space and increased effectiveness in early drug discovery. Here, we combine the use of pharmacophores, the most general concept of representing drug-target interactions with the theory of protein hotspots, to develop a design protocol for fragment libraries. The SpotXplorer approach compiles small fragment libraries that maximize the coverage of experimentally confirmed binding pharmacophores at the most preferred hotspots. Our carefully selected High Solubility Pharmacophore Fragment library contains 985 fragment small molecules.

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.

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Catalog No. L7830

High Solubility Pharmacophore Fragment Library
sizeIn stock
  • 1 mg
  • 5 mg
  • 10 mg
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The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. We analyzed the key interactions discovered by target protein hot spots to derive the fragment pharmacophore represented by the fragment-protein complex available in the PDB. Using this information, we designed a set of minimal diversified commercial fragments, covering most experiments combined with pharmacophore, used to identify the starting point of the fragment for drug discovery targets.

Library Desgin:

Packaging And Storage | TargetMol Packaging And Storage

  • Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
  • Shipped with blue ice

Library Customization | TargetMol Library Customization

Compound Library | TargetMol
Targetmol Compound Libraries
can be highly customized!
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Library Customization | TargetMol Library Composition

Endogenous Metabolite
AChR
Autophagy
Histamine Receptor
AChE
Antibacterial
Antiviral
Apoptosis
CAT
DPP-4
Drug Metabolite
ERK
HCV Protease
IL Receptor
Interleukin
JAK
Mitophagy
NF-κB
P450
PDE
Platelet aggregation
Sodium Channel
TNF
Tyrosine Kinases
Virus Protease

Keywords