Ligand name: ~{N}-[5-(3,4-dihydro-1~{H}-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
PDB ligand accession: KZN
DrugBank: n/a
PubChem: 139033918
ChEMBL: CHEMBL4462271
InChI Key: OBCUZJPWFQZKTN-UHFFFAOYSA-N
SMILES: COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4
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
6S7Z	Download	Experimental	e6s7zA2 e6s7zA3 e6s7zC1 e6s7zC2	L-aspartase C-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase C-terminal domain-like	LigPlot