Ligand name: 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
PDB ligand accession: 328
DrugBank: DB07002
PubChem: 9797857
ChEMBL: CHEMBL114500
InChI Key: SZUVGMCKKLJAFX-UHFFFAOYSA-N
SMILES: COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P29477

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3EAI	Download	Experimental	e3eaiA1 e3eaiB1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot