Ligand name: (7aR,8R)-8-amino-4-cyclopropyl-12-fluoro-1-oxo-4,7,7a,8,9,10-hexahydro-1H-pyrrolo[1',2':1,7]azepino[2,3-h]quinoline-2-carboxylic acid
PDB ligand accession: AF5
DrugBank: n/a
PubChem: 44480356
ChEMBL: CHEMBL4642209
InChI Key: KZNQXATUOHSRHR-HZPDHXFCSA-N
SMILES: c1c2c(c3c(c1F)N4CCC(C4CC=C3)N)N(C=C(C2=O)C(=O)O)C5CC5
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
4KPE	Download	Experimental	e4kpeA2 e4kpeB2 e4kpeC1 e4kpeA2 e4kpeB2 e4kpeD1	HTH HTH HAD domain-related HTH HTH HAD domain-related	LigPlot