Ligand name: (2R)-hydroxy(phenyl)ethanenitrile
PDB ligand accession: MXN
DrugBank: n/a
PubChem: 9548674
ChEMBL: n/a
InChI Key: NNICRUQPODTGRU-QMMMGPOBSA-N
SMILES: c1ccc(cc1)C(C#N)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q945K2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3GDN	Download	Experimental	e3gdnA2 e3gdnB2	Rossmann-like Rossmann-like	LigPlot