Ligand name: 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM
PDB ligand accession: T5C
DrugBank: n/a
PubChem: 10123544;49867718;57511259;73427368;
ChEMBL: n/a
InChI Key: WKWHOLCUESSZIQ-UHFFFAOYSA-O
SMILES: CC(=CC=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C=CC=C3C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of PDB structures and/or AlphaFold models with target protein P0DOY2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2JB6	Download	Experimental	e2jb6A1 e2jb6B1 e2jb6L1 e2jb6H1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot
2JB5	Download	Experimental	e2jb5L1 e2jb5H1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot