Ligand name: (2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide
PDB ligand accession: BCE
DrugBank: DB07443
PubChem: 54727972
ChEMBL: CHEMBL519160
InChI Key: MUVPBAIVOHJDOC-VBKFSLOCSA-N
SMILES: CC(=C(C#N)C(=O)Nc1ccc(cc1)c2ccccc2)O
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein Q02127

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3F1Q	Download	Experimental	e3f1qA1	TIM beta/alpha-barrel	LigPlot