Ligand name: 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one
PDB ligand accession: 4W0
DrugBank: n/a
PubChem: 124222414
ChEMBL: CHEMBL4060939
InChI Key: OPUNZJHITPCTFC-UHFFFAOYSA-N
SMILES: CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q8I302

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JWC	Download	Experimental	e5jwcA1 e5jwcA2 e5jwcA3 e5jwcH1 e5jwcH2 e5jwcH4	FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like	LigPlot