Ligand name: 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE
PDB ligand accession: BV4
DrugBank: DB02572
PubChem: 131704207;135678080;
ChEMBL: n/a
InChI Key: BPHYTQORKHDHAH-OHNHNXIVSA-N
SMILES: c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)OC8C(C(C(C(O8)CO)O)O)O)[N+](=O)[O-])N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein P01556

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1RF2	Download	Experimental	e1rf2D1 e1rf2E1 e1rf2E1 e1rf2F1 e1rf2G1 e1rf2F1 e1rf2G1 e1rf2H1 e1rf2D1 e1rf2H1	OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold OB-fold	LigPlot