Ligand name: (4-tert-butylphenyl)acetaldehyde
PDB ligand accession: TB2
DrugBank: n/a
PubChem: 595340
ChEMBL: n/a
InChI Key: VMLYBYNXKMHLIJ-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(cc1)CC=O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P00178

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3R1A	Download	Experimental	e3r1aA1 e3r1aB1 e3r1aC1 e3r1aD1 e3r1aE1 e3r1aF1 e3r1aG1 e3r1aH1	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot
3R1B	Download	Experimental	e3r1bA1 e3r1bD1 e3r1bB1 e3r1bC1	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot