Data Supplement

• Supplemental Data -

  Supplemental Figure 1 - 1D proton NMR spectrum of PYD-106
  Supplemental Figure 2 - 2D NOESY NMR spectrum of PYD-106 (400ms)
  Supplemental Figure 3 - NMR experimental observations
  Supplemental Figure 4 - The alignment used for building in the linker region between ATD and ABD
  Supplemental Material 5 - Attempt as separation of PYD enantiomers
  Supplemental Figure 6 - The ROC curves and Enrichment plots of the S-enantiomer of 79 compounds representative of the PYD series docked to 9 homology models
  Supplemental Figure 7 - The ROC curves and Enrichment plots of the R-enantiomer of 79 compounds representative of the PYD series docked to 10 homology models
  Supplemental Figure 8 - Enrichment plot for PYD-series docked against the selected GluN2C homology model
  Supplemental Figure 9 - Molecular overlay of the GluN1/GluN2C diheteromeric homology model and a diheteromeric GluN1/GluN2B Cryo-EM structure (PDBID: 5IOU)
  Supplemental Table 1 - Shared sequence identity and similarity between NMDA subunits of the PYD binding pocket
  

• PDB - Ligand-receptor complex -

  A PDB structure of the ligand receptor complex of GluN2C and PYD-106