Ligand name: 5-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-2-ylidene)penta-1,3-dienyl]indol-1-ium-1-yl]-~{N}-[8-[[(1~{R},2~{S},3~{S},4~{S},5~{R})-2,3,4,5-tetrakis(oxidanyl)cyclohexyl]amino]octyl]pentanamide
PDB ligand accession: HLB
DrugBank: n/a
PubChem: 138753246
ChEMBL: n/a
InChI Key: QVZIJCUKVKFUJR-XDYJFVOXSA-O
SMILES: CC1(c2ccccc2[N+](=C1C=CC=CC=C3C(c4ccccc4N3C)(C)C)CCCCC(=O)NCCCCCCCCNC5CC(C(C(C5O)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 Q5BAS1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Q7J	Download	Experimental	e6q7jB1 e6q7jB2 e6q7jA2 e6q7jA3	TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot