Ligand name: (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione
PDB ligand accession: 9Z1
DrugBank: n/a
PubChem: 23728435
ChEMBL: CHEMBL4746496
InChI Key: JTJJJLSLKZFEPJ-ZAYCRUKZSA-N
SMILES: CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=Cc4c[nH]cn4)N(c5c2cccc5)OC)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Pyridoindoles

List of PDB structures and/or AlphaFold models with target protein A0A1B2TT09

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5W7S	Download	Experimental	e5w7sA1	Rossmann-like	LigPlot