Ligand name: (2S)-N-methyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-2-carboxamide
PDB ligand accession: 4JW
DrugBank: n/a
PubChem: 42064835
ChEMBL: n/a
InChI Key: NKHFUWXPKFRIAY-HNNXBMFYSA-N
SMILES: CN(c1ccccc1)C(=O)C2COc3ccccc3O2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodioxanes
      • Subclass: Benzo-1,4-dioxanes

List of PDB structures and/or AlphaFold models with target protein Q4DA73

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YV0	Download	Experimental	e4yv0A1 e4yv0A2 e4yv0B1 e4yv0B2 e4yv0C1 e4yv0C2 e4yv0D1 e4yv0D2	Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Rossmann-like Spermidine synthase tetramerisation domain Spermidine synthase tetramerisation domain Rossmann-like	LigPlot