Ligand name: 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium
PDB ligand accession: 5CY
DrugBank: n/a
PubChem: 15374997;15963405;49866527;71316190;91982875;
ChEMBL: n/a
InChI Key: VFBDPICHYNKCQJ-UHFFFAOYSA-N
SMILES: CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3CCCO)(C)C)CCCO)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 P0A988

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3BEP	Download	Experimental	e3bepB1 e3bepB2	DNA clamp DNA clamp	LigPlot