Ligand name: 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethylcyclohepta[c]pyrrol-4(2H)-one
PDB ligand accession: ID6
DrugBank: n/a
PubChem: 686807
ChEMBL: n/a
InChI Key: PTQJXFLYSQXYEP-UHFFFAOYSA-N
SMILES: CCOC1=CC=CC(=O)c2c1c(n(c2C)Cc3ccc(cc3)Cl)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Hydrocarbon derivatives
    • Class: Tropones
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q54A96

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CQA	Download	Experimental	e4cqaA1 e4cqaB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot