Ligand name: (2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
PDB ligand accession: O3N
DrugBank: n/a
PubChem: 57345918
ChEMBL: n/a
InChI Key: NZBPOEFEMNTREQ-DEOSSOPVSA-N
SMILES: C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)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
4CEZ	Download	Experimental	e4cezA1 e4cezB1	Ribonuclease H-like Ribonuclease H-like	LigPlot
3ZSR	Download	Experimental	e3zsrB2 e3zsrA2	Ribonuclease H-like Ribonuclease H-like	LigPlot
4CE9	Download	Experimental	e4ce9A1 e4ce9B1	Ribonuclease H-like Ribonuclease H-like	LigPlot