Ligand name: 2-[2-[[3-(1~{H}-benzimidazol-2-ylamino)propylamino]methyl]-4,6-bis(chloranyl)indol-1-yl]ethanol
PDB ligand accession: I53
DrugBank: n/a
PubChem: 9802843
ChEMBL: CHEMBL587208
InChI Key: JCEOIIIPEPYSSD-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)[nH]c(n2)NCCCNCc3cc4c(n3CCO)cc(cc4Cl)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q38C91

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5TQU	Download	Experimental	e5tquB2	HUP domain-like	LigPlot