Ligand name: 5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid
PDB ligand accession: 91O
DrugBank: n/a
PubChem: 99896585
ChEMBL: n/a
InChI Key: KFXXLYWMHLDCLE-FPLPWBNLSA-N
SMILES: COc1ccc(cc1)C(=O)C=CNc2cc(c(cc2Cl)C(=O)O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q96RR4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5YV9	Download	Experimental	e5yv9A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot