Ligand name: FRAGMENT OF TRITON X-100
PDB ligand accession: TRT
DrugBank: DB02080
PubChem: 446308
ChEMBL: n/a
InChI Key: HEUDUECKTWTQQR-UHFFFAOYSA-N
SMILES: CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylpropanes

List of PDB structures and/or AlphaFold models with target protein Q8I302

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JWC	Download	Experimental	e5jwcA1 e5jwcA3 e5jwcH1 e5jwcH4	FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot
5JWA	Download	Experimental	e5jwaA4 e5jwaH3	FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot
5JWB	Download	Experimental	e5jwbA4 e5jwbH3 e5jwbH3	FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like	LigPlot