Ligand name: 2,2-dimethylpropanenitrile
PDB ligand accession: TAN
DrugBank: n/a
PubChem: 12416
ChEMBL: n/a
InChI Key: JAMNHZBIQDNHMM-UHFFFAOYSA-N
SMILES: CC(C)(C)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Organic cyanides

List of PDB structures and/or AlphaFold models with target protein P13449

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3X20	Download	Experimental	e3x20A1 e3x20B2	Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain	LigPlot
3X26	Download	Experimental	e3x26A1 e3x26B2	Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain	LigPlot
3A8M	Download	Experimental	e3a8mB2 e3a8mA1	Nitrile hydratase subunit beta N-termial domain Nitrile hydratase alpha chain	LigPlot
3X24	Download	Experimental	e3x24A1 e3x24B2	Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain	LigPlot
3A8G	Download	Experimental	e3a8gB2 e3a8gA1	Nitrile hydratase subunit beta N-termial domain Nitrile hydratase alpha chain	LigPlot
3WVE	Download	Experimental	e3wveA1 e3wveB2	Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain	LigPlot
3X25	Download	Experimental	e3x25A1 e3x25B1	Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain	LigPlot
3WVD	Download	Experimental	e3wvdA1 e3wvdB2	Nitrile hydratase alpha chain Nitrile hydratase subunit beta N-termial domain	LigPlot