Ligand name: 6-[3,3-dimethyl-2-[(1~{E},3~{E},5~{E})-5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-2,3,4,6-tetrakis(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]hexanamide
PDB ligand accession: HKW
DrugBank: n/a
PubChem: 138753244
ChEMBL: n/a
InChI Key: PERJBOWNRMIYFC-ZXMFRAEJSA-O
SMILES: CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCCC(=O)NCc5cn(nn5)CC6C(CC(C(C6O)O)O)O)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 P04062

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Q6K	Download	Experimental	e6q6kA1 e6q6kB1 e6q6kB2 e6q6kA1 e6q6kB1	TIM beta/alpha-barrel TIM beta/alpha-barrel Glycosyl hydrolase domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot