Ligand name: (2S)-6-[[[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
PDB ligand accession: B0T
DrugBank: n/a
PubChem: 71819709
ChEMBL: n/a
InChI Key: AAXSGFNZEOGOMF-LPHOPBHVSA-N
SMILES: CCC(C)NC(=O)c1ccccc1CN(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
4CEE	Download	Experimental	e4ceeA1 e4ceeB1	Ribonuclease H-like Ribonuclease H-like	LigPlot