Ligand name: 3-{5-[(3-hydroxy-5-methoxyphenyl)amino]-2-(phenylcarbamoyl)phenoxy}propan-1-aminium
PDB ligand accession: B5S
DrugBank: n/a
PubChem: 78350470
ChEMBL: n/a
InChI Key: TUABKEMVLJKHPG-UHFFFAOYSA-O
SMILES: COc1cc(cc(c1)O)Nc2ccc(c(c2)OCCC[NH3+])C(=O)Nc3ccccc3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q14680

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UMQ	Download	Experimental	e4umqA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot