Ligand name: (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
PDB ligand accession: DGB
DrugBank: DB12731
PubChem: 6914657
ChEMBL: CHEMBL566757
InChI Key: KPBNHDGDUADAGP-VAWYXSNFSA-N
SMILES: c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)C=Cc3cccnc3
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P43490

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2GVJ	Download	Experimental	e2gvjB2 e2gvjA2 e2gvjB1 e2gvjA1 e2gvjA2	alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel	LigPlot
4O1D	Download	Experimental	e4o1dA3 e4o1dB2 e4o1dA2 e4o1dA3 e4o1dB3	TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
4O1B	Download	Experimental	e4o1bA2 e4o1bB3 e4o1bA2 e4o1bA3 e4o1bB1	TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel	LigPlot