Ligand name: (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,12-DIAMINODODECANE DIHYDROCHLORIDE
PDB ligand accession: E12
DrugBank: n/a
PubChem: 445975;5288143;
ChEMBL: CHEMBL519154
InChI Key: VFFGYPZORQBRNM-UIOOFZCWSA-N
SMILES: C1CC(C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCNC3CCCC4=C3C=CC(=O)N4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Quinolones and derivatives

List of PDB structures and/or AlphaFold models with target protein P04058

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1H23	Download	Experimental	e1h23A1	alpha/beta-Hydrolases	LigPlot