Ligand name: (2S)-6-[[[2-(furan-2-ylmethylcarbamoyl)phenyl]methyl-prop-2-enyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
PDB ligand accession: 9NS
DrugBank: n/a
PubChem: 71816179
ChEMBL: n/a
InChI Key: ZHJGBUQEXSUEEP-QFIPXVFZSA-N
SMILES: C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OCC(O4)CCC(=O)O
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 Q76353

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CED	Download	Experimental	e4cedA1 e4cedB1	Ribonuclease H-like Ribonuclease H-like	LigPlot