Ligand name: CAFFEIC ACID
PDB ligand accession: DHC
DrugBank: DB01880
PubChem: 689043
ChEMBL: CHEMBL145
InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N
SMILES: c1cc(c(cc1C=CC(=O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

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

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
2O7D	Download	Experimental	e2o7dA1 e2o7dA2 e2o7dB1 e2o7dD1 e2o7dA1 e2o7dB1 e2o7dB2 e2o7dC1 e2o7dB1 e2o7dC1 e2o7dC2 e2o7dD1 e2o7dA1 e2o7dC1 e2o7dD1 e2o7dD2 e2o7dE1 e2o7dE2 e2o7dF1 e2o7dH1 e2o7dE1 e2o7dE2 e2o7dF1 e2o7dF2 e2o7dG1 e2o7dF1 e2o7dG1 e2o7dG2 e2o7dH1 e2o7dE1 e2o7dE2 e2o7dG1 e2o7dH1 e2o7dH2	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