Ligand name: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE
PDB ligand accession: N3C
DrugBank: DB17023
PubChem: 11228183
ChEMBL: CHEMBL376408
InChI Key: HPLNQCPCUACXLM-PGUFJCEWSA-N
SMILES: CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Biphenyls and derivatives

List of PDB structures and/or AlphaFold models with target protein Q5BWX6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7JMT	Download	Experimental	e7jmtA1 e7jmtA1 e7jmtB1 e7jmtC1 e7jmtC1 e7jmtD1 e7jmtE1 e7jmtF1	Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot