Ligand name: 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one
PDB ligand accession: PT6
DrugBank: DB12347
PubChem: 11844916
ChEMBL: CHEMBL488937
InChI Key: YCLREGRRHGLOAK-UHFFFAOYSA-N
SMILES: Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q7A6D8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CV1	Download	Experimental	e4cv1A1 e4cv1B1 e4cv1C1 e4cv1D1 e4cv1E1 e4cv1F1 e4cv1G1 e4cv1H1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
4CV0	Download	Experimental	e4cv0A1 e4cv0B1 e4cv0C1 e4cv0D1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot