Ligand name: 5-[(3~{R},5~{S})-3-azanyl-5-(trifluoromethyl)piperidin-1-yl]quinoline-8-carbonitrile
PDB ligand accession: QLH
DrugBank: DB16501
PubChem: 129240620
ChEMBL: CHEMBL4802159
InChI Key: BJXYHBKEQFQVES-NWDGAFQWSA-N
SMILES: c1cc2c(ccc(c2nc1)C#N)N3CC(CC(C3)N)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9NR97

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6ZJZ	Download	Experimental	e6zjzA1 e6zjzA2 e6zjzB2 e6zjzA1 e6zjzB1	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot