Ligand name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
PDB ligand accession: MFX
DrugBank: DB00218
PubChem: 152946;40467042;
ChEMBL: CHEMBL32
InChI Key: FABPRXSRWADJSP-MEDUHNTESA-N
SMILES: COc1c2c(cc(c1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)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 P9WG45

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5BTA	Download	Experimental	e5btaA1 e5btaC3 e5btaD1 e5btaA3 e5btaC2 e5btaB2	a+b domain in type II DNA topoisomerase HTH HAD domain-related HTH a+b domain in type II DNA topoisomerase HAD domain-related	LigPlot
5BS8	Download	Experimental	e5bs8D1 e5bs8A1 e5bs8A3 e5bs8C1 e5bs8A3 e5bs8C3 e5bs8B1	HAD domain-related a+b domain in type II DNA topoisomerase HTH HTH HTH a+b domain in type II DNA topoisomerase HAD domain-related	LigPlot