Ligand name: 4-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
PDB ligand accession: 778
DrugBank: DB07227
PubChem: 216454
ChEMBL: CHEMBL279433
InChI Key: JNUGFGAVPBYSHF-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)N2CCN(CC2=O)Cc3cncn3Cc4ccc(cc4)C#N
Drug action: modulator

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49354

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1S63	Download	Experimental	e1s63B1 e1s63A1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot