Ligand name: (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide
PDB ligand accession: HI0
DrugBank: n/a
PubChem: 24798804
ChEMBL: CHEMBL1689139
InChI Key: LLJSSTLCMHGPSB-UUWRZZSWSA-N
SMILES: CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)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 Q07817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3QKD	Download	Experimental	e3qkdA1 e3qkdB1	Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot