Ligand name: Entacapone
PDB ligand accession: PD9
DrugBank: DB00494
InChI Key: JRURYQJSLYLRLN-BJMVGYQFSA-N
SMILES: CCN(CC)C(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C#N
Drug action: inhibitor

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 P21964

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P21964	Download	Predicted	P21964_F1_nD1	Rossmann-like
3A7E		Predicted	e3a7eA1
3BWM		Predicted	e3bwmA1
3BWY		Predicted	e3bwyA1
4PYI		Predicted	e4pyiA1
4PYJ		Predicted	e4pyjA1
4PYK		Predicted	e4pykA1
4XUC		Predicted	e4xucA1
4XUD		Predicted	e4xudA1
4XUE		Predicted	e4xueB1 e4xueA1
5LSA		Predicted	e5lsaA1
6I3C		Predicted	e6i3cA1
6I3D		Predicted	e6i3dB1 e6i3dA1