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 Q59961

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Z3O	Download	Experimental	e4z3oA2 e4z3oB3 e4z3oB5 e4z3oA2 e4z3oB3 e4z3oA5	HTH HTH HAD domain-related HTH HTH HAD domain-related	LigPlot
3FOF	Download	Experimental	e3fofA5 e3fofB4 e3fofD2 e3fofA5 e3fofC2	HTH HTH HAD domain-related HTH HAD domain-related	LigPlot