Science Advances

Supplementary Materials

This PDF file includes:

  • Supplementary Materials and Methods
  • Fig. S1. Isocyanide syntheses.
  • Fig. S2. Reactions in destination plate I.
  • Fig. S3. Reactions in destination plate II.
  • Fig. S4. Reactions in destination plate III.
  • Fig. S5. Reactions in destination plate IV.
  • Fig. S6. Labcyte Echo plate reformat software.
  • Fig. S7. Heat plots with product structures, green for major product formation, yellow for medium product formation, and blue for no product formation.
  • Fig. S8. Stabilization effect of 18a as proof of interaction with MptpB as assessed by DSF.
  • Fig. S9. Binding curve of 18a to the fluorescently labeled MptpB sample as assessed by MST.
  • Fig. S10. Three-dimensional structure of the target phosphatase.
  • Fig. S11. Proposed docking model for 18a covalently bound to Cys160 (PDB ID: 2OZ5).
  • Fig. S12. Proposed docking model for 18a covalently bound to Ser57 (PDB ID: 2OZ5).
  • Fig. S13. Proposed docking model for 18a covalently bound to Thr223 (PDB ID: 2OZ5).
  • Fig. S14. ADE technology.
  • Table S1. Summary table of the docking scores for Covdock and Scorpion.
  • Scheme S1. Quality control results for destination plate I.
  • Scheme S2. Performance of formylphenyl boronic acids in destination plate I.
  • Scheme S3. Performance of isocyanides in GBB-3CR reaction in destination plate I.
  • Scheme S4. Performance of isocyanides in Ugi-based macrocycles in destination plate I.
  • Scheme S5. Performance of isocyanides in U-4CR in destination plate I.
  • Scheme S6. Performance of isocyanides in UT-4CR in destination plate I.
  • Scheme S7. Performance of carboxylic acids in U-4CR in destination plate I.
  • Scheme S8. Performance of amines in U-4CR in destination plate I.
  • Scheme S9. Performance of amines in UT-4CR in destination plate I.
  • Scheme S10. Performance of amidines in GBB-3CR reaction in destination plate I.
  • Scheme S11. Performance of α,ω-amino carboxylic acids in Ugi-based macrocycles in destination plate I.
  • Scheme S12. Quality control results for destination plate II.
  • Scheme S13. Performance of aminophenyl boronic acids in destination plate II.
  • Scheme S14. Performance of isocyanides in U-4CR in destination plate II.
  • Scheme S15. Performance of isocyanides in UT-4CR in destination plate II.
  • Scheme S16. Performance of oxo components in U-4CR in destination plate II.
  • Scheme S17. Performance of oxo components in UT-4CR in destination plate II.
  • Scheme S18. Performance of carboxylic acids in U-4CR in destination plate II.
  • Scheme S19. Quality control results for destination plate III.
  • Scheme S20. Performance of carboxyphenyl boronic acids in destination plate III.
  • Scheme S21. Performance of isocyanides in U-4CR in destination plate III.
  • Scheme S22. Performance of isocyanides in U-4CR with CH2O in destination plate III.
  • Scheme S23. Performance of oxo component in U-4CR in destination plate III.
  • Scheme S24. Performance of amines in U-4CR in destination plate III.
  • Scheme S25. Performance of amines in U-4CR with CH2O in destination plate III.
  • Scheme S26. Quality control results for destination plate IV.
  • Scheme S27. Performance of MCR boronic acid building blocks in destination plate IV.
  • Scheme S28. Performance of aryl halides in destination plate IV.
  • References (4258)

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