Ligand name: 1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINE
PDB ligand accession: L08
DrugBank: DB02177
PubChem: 448317
ChEMBL: CHEMBL1233907
InChI Key: GKGJFUXSTSUKPB-UHFFFAOYSA-N
SMILES: CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C
Drug action: n/a

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 P20701

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1RD4	Download	Experimental	e1rd4A1 e1rd4B1 e1rd4C1 e1rd4D1	HAD domain-related HAD domain-related HAD domain-related HAD domain-related	LigPlot