Efficient sampling of chemical space
A diverse set of 1000 fragments represents its chemical space about as effectively as would 10 trillion diverse drug-sized molecules
Ideally suited for PPIs
They can bind to small pockets available on the protein surface
Predictor of protein druggability
Obtaining high hit rates (> 3%) is an excellent predictor that high-affinity, small molecule ligands can be identified. Low hit rates (< 0.1%) strongly suggest an undruggable pocket
Offer unique binding profiles
High-quality interactions between fragment and target
Chemical optimization
Ability to optimize pharmacokinetics profile simultaneously with potency as fragment hit grows to clinical candidate
What can we offer on the FBDD platform?
WuXi AppTec fragment library (~3100)
Manually curated by experts in medicinal chemistry
  • Approx. 3,100 fragments
  • Key pharmacophores
  • Appropriate complexity
  • Synthetically accessible
  • “Rule-of-three” compliant
  • PAIN, REOS, SMART filter









Biacore 8K
  • Screening & kinetic characterization
  • 8 channels HTS system
  • >1000 compounds / day
  • dissociation rates: 10-6 to 0.5 s-1
  • affinity range: pM – mM
  • kinetic characterization of 64 interactions in 4h
Monolith NT.Automated
  • Fully automated MST Screening Unit
  • labeled & labelfree MST
  • Kd range: pM – mM
  • 500-800 compounds / day
  • 80 Kd per day
Dianthus NT.23 PicoDuo
  • 384 Plate format
  • HTS Screening Unit
  • KD range: 10 pM – mM
  • 1500 Cps/Day (Single Concentration)
  • > 150 Full KDs/Day
Assay Development and Primary Screening
Hit confirmation – KD ranking
Orthogonal validation
X-Ray Crystallography
Establishment of Soaking system
Fragment Soaking
Automated data processing
Manual refinement of chosen hits
Structure-led fragment-to-hit series development
Ready to start your project at WuXi AppTec HitS?
WuXi AppTec HitS unit provides one-stop Target-to-Hit services that enable companies in the pharmaceuticals, biotech, and academics worldwide to seek premium drug discovery.
Contact Us
US: +1 415 755 3735
China: 400-820-0985
Online inquiry
  • WuXi AppTec China
    240 Hedan Road, Shanghai 200131, China
    1318 Wuzhong Avenue, Suzhou 215104, China
  • WuXi AppTec US
    Suite 111, 22 Strathmore Road Natick
    MA 01760-2434, USA
  • Crelux GmbH, a WuXi AppTec Company
    Am Klopferspitz 19a
    82152 Martinsried, Germany
Copyright © 2020 WuXi AppTec, All Rights Reserved.