Ligand name: 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid
PDB ligand accession: QLN
DrugBank: n/a
PubChem: 78323068
ChEMBL: CHEMBL3819187
InChI Key: WFDJIIYWQKNANN-CCEZHUSRSA-N
SMILES: C#Cc1ccc(cc1)C=CC2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O
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 A0A0H3JPA5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Q9N	Download	Experimental	e6q9nA1 e6q9nA2 e6q9nA4 e6q9nB4	Penicillin binding protein dimerisation domain Cystatin-like ClpS-like Penicillin binding protein dimerisation domain	LigPlot