Ligand name: 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
PDB ligand accession: FTH
DrugBank: n/a
PubChem: 5288261
ChEMBL: CHEMBL29946
InChI Key: ADDOXKIOPBTSEG-PMERELPUSA-N
SMILES: Cn1cncc1CC(C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q04631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1N95	Download	Experimental	e1n95B1 e1n95A1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot