Ligand name: 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine
PDB ligand accession: 0J3
DrugBank: n/a
PubChem: 50997095
ChEMBL: CHEMBL1766528
InChI Key: JIYPGFPFAVEPFX-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P08581

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GG5	Download	Experimental	e4gg5A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot