Ligand name: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
PDB ligand accession: MH5
DrugBank: n/a
PubChem: 916577
ChEMBL: n/a
InChI Key: PMNTXRWWXFDZFS-UHFFFAOYSA-N
SMILES: Cc1ccc(s1)CNc2cccc(c2)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
5R5J	Download	Experimental	e5r5jA1	beta-Grasp	LigPlot