Ligand name: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide
PDB ligand accession: BU0
DrugBank: n/a
PubChem: 27012980;28666271;
ChEMBL: n/a
InChI Key: JQHLCUIHVLWGLE-SFHVURJKSA-P
SMILES: CC(c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)Nc5cccc[n+]5C3=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridopyrimidines
      • Subclass: Pyrido[2,3-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein Q13231

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JJR	Download	Experimental	e6jjrA1 e6jjrA2	FKBP-like TIM beta/alpha-barrel	LigPlot