Ligand name: 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one
PDB ligand accession: 94F
DrugBank: n/a
PubChem: 137348786
ChEMBL: n/a
InChI Key: IIOXYCBQJCNGFW-UHFFFAOYSA-N
SMILES: CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4ccccc4C(F)(F)F)Cl
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 P01116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5YY1	Download	Experimental	e5yy1A1	P-loop domains-like	LigPlot