Ligand name: 5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-7-[1-(1-methylethyl)piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one
PDB ligand accession: B45
DrugBank: n/a
PubChem: 23532664
ChEMBL: CHEMBL328242
InChI Key: KXNNHYBPDFMKQK-UHFFFAOYSA-N
SMILES: CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Phenylpiperidines

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
3GC7	Download	Experimental	e3gc7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot