Ligand name: 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
PDB ligand accession: 1AH
DrugBank: n/a
PubChem: 11513133
ChEMBL: CHEMBL197500
InChI Key: JTIFBCHFPVQSEH-UNMGZEBXSA-N
SMILES: CC(C)(C)C(C(=O)NN(Cc1ccc(cc1)Br)CC(Cc2ccccc2)(C(=O)NC3c4ccccc4CC3O)O)NC(=O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q8Q3H0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2CEJ	Download	Experimental	e2cejB1 e2cejA1	cradle loop barrel cradle loop barrel	LigPlot