Ligand name: 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
PDB ligand accession: KKK
DrugBank: n/a
PubChem: 456201
ChEMBL: CHEMBL75
InChI Key: XMAYWYJOQHXEEK-OZXSUGGESA-N
SMILES: CC(=O)N1CCN(CC1)c2ccc(cc2)OCC3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)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 Q16850

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3LD6	Download	Experimental	e3ld6A1 e3ld6B1	Cytochrome P450 Cytochrome P450	LigPlot