Ligand name: TIRANDAMYCIN E
PDB ligand accession: TIR
DrugBank: n/a
PubChem: 54735825
ChEMBL: n/a
InChI Key: ADEAEUKXVJOXIM-YNKBRHJSSA-N
SMILES: CC1C2C(C=C(C(O2)(OC1C(C)C=C(C)C=CC(=C3C(=O)CNC3=O)O)C)C)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein D3Y1I2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2Y4G	Download	Experimental	e2y4gA1 e2y4gA2 e2y4gB1 e2y4gB2	FAD-binding domain-like Alpha-beta plaits Alpha-beta plaits FAD-binding domain-like	LigPlot
2Y3R	Download	Experimental	e2y3rA1 e2y3rA2 e2y3rC1 e2y3rC2	FAD-binding domain-like Alpha-beta plaits FAD-binding domain-like Alpha-beta plaits	LigPlot
2Y3S	Download	Experimental	e2y3sA1 e2y3sA2 e2y3sB1 e2y3sB2	Alpha-beta plaits FAD-binding domain-like FAD-binding domain-like Alpha-beta plaits	LigPlot