Ligand name: SIMOCYCLINONE C4
PDB ligand accession: SMQ
DrugBank: n/a
PubChem: 52948901
ChEMBL: n/a
InChI Key: FTHVOUWMLYLIFE-WSOZGFGQSA-N
SMILES: CC1C(C(CC(O1)c2ccc3c(c2O)C(C45C(CC6(CC(=CC(=O)C6(C4(C3=O)O5)O)C)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)O)OC(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Tetralins
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9AMH9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2Y31	Download	Experimental	e2y31A2 e2y31B2	Tetracyclin repressor-like, C-terminal domain Tetracyclin repressor-like, C-terminal domain	LigPlot