Ligand name: 4-[methyl(nitroso)amino]-1-(pyridin-3-yl)butan-1-one
PDB ligand accession: 0QA
DrugBank: n/a
PubChem: 47289
ChEMBL: CHEMBL2311069
InChI Key: FLAQQSHRLBFIEZ-UHFFFAOYSA-N
SMILES: CN(CCCC(=O)c1cccnc1)N=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbonyl compounds

List of PDB structures and/or AlphaFold models with target protein Q16696

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EJH	Download	Experimental	e4ejhA1 e4ejhB1 e4ejhC1 e4ejhD1 e4ejhE1 e4ejhF1	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot
4EJI	Download	Experimental	e4ejiA1	Cytochrome P450	LigPlot