Ligand name: (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
PDB ligand accession: ZSW
DrugBank: n/a
PubChem: 137350217
ChEMBL: n/a
InChI Key: AGZZKFCNWHLQQG-NQIIRXRSSA-O
SMILES: CCC(C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3c(c2C(=O)O)OCC(O3)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
3ZSW	Download	Experimental	e3zswB2 e3zswA2	Ribonuclease H-like Ribonuclease H-like	LigPlot
4CEA	Download	Experimental	e4ceaA1 e4ceaB1	Ribonuclease H-like Ribonuclease H-like	LigPlot