Ligand name: 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid
PDB ligand accession: S1J
DrugBank: n/a
PubChem: 808765
ChEMBL: CHEMBL242279
InChI Key: MHWWFBSFFVDUPF-UHFFFAOYSA-N
SMILES: c1cc(cnc1)CNc2ccc(cc2N)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9BRQ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5R5D	Download	Experimental	e5r5dA1	beta-Grasp	LigPlot