Ligand name: 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE
PDB ligand accession: Q1T
DrugBank: n/a
PubChem: 91808026
ChEMBL: CHEMBL3586664
InChI Key: RYFZEWNGJTVNMY-UHFFFAOYSA-N
SMILES: Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P29475

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UH6	Download	Experimental	e4uh6A1 e4uh6B1	Nitric oxide (NO) synthase oxygenase domain Nitric oxide (NO) synthase oxygenase domain	LigPlot