Ligand name: 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
PDB ligand accession: BNU
DrugBank: n/a
PubChem: 12733890
ChEMBL: CHEMBL1193910
InChI Key: DAPHRWWQHCSXBW-UHFFFAOYSA-N
SMILES: CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CCNCC3)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Quinoline carboxylic acids

List of PDB structures and/or AlphaFold models with target protein Q8U2X0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3VVP	Download	Experimental	e3vvpA1	Type II ABC exporter transmembrane domain fold	LigPlot