Ligand name: 1-(2,6-DICHLOROPHENYL)-5-(2,4-DIFLUOROPHENYL)-7-PIPERIDIN-4-YL-3,4-DIHYDROQUINOLIN-2(1H)-ONE
PDB ligand accession: 358
DrugBank: DB01948
PubChem: 447725
ChEMBL: CHEMBL564912
InChI Key: VXIYTVJEIXMAQF-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q16539

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1OVE	Download	Experimental	e1oveA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot