Ligand name: ~{N}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
PDB ligand accession: KUE
DrugBank: n/a
PubChem: 145946047
ChEMBL: CHEMBL4529904
InChI Key: ZQSQGRGBMUBDMZ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein A0A045IXZ8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6S43	Download	Experimental	e6s43A1 e6s43A2 e6s43C1 e6s43C2	L-aspartase middle domain-like L-aspartase C-terminal domain-like L-aspartase middle domain-like L-aspartase C-terminal domain-like	LigPlot