Ligand name: PHENYLETHYLENECARBOXYLIC ACID
PDB ligand accession: TCA
DrugBank: DB18313
PubChem: 444539
ChEMBL: CHEMBL27246
InChI Key: WBYWAXJHAXSJNI-VOTSOKGWSA-N
SMILES: c1ccc(cc1)C=CC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: Cinnamic acids

List of PDB structures and/or AlphaFold models with target protein Q3IWB0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2O78	Download	Experimental	e2o78A1 e2o78A2 e2o78B1 e2o78D1 e2o78A1 e2o78B1 e2o78B2 e2o78C1 e2o78B1 e2o78C1 e2o78C2 e2o78D1 e2o78A1 e2o78C1 e2o78D1 e2o78D2 e2o78E1 e2o78E2 e2o78F1 e2o78H1 e2o78E1 e2o78E2 e2o78F1 e2o78F2 e2o78G1 e2o78F1 e2o78G1 e2o78G2 e2o78H1 e2o78E1 e2o78E2 e2o78G1 e2o78H1 e2o78H2	L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like	LigPlot