Ligand name: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid
PDB ligand accession: JBB
DrugBank: n/a
PubChem: 2819674
ChEMBL: n/a
InChI Key: WSMPZJFCOIZVQR-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)C(=O)O)CSc2cccs2
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 B1MDI3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QOE	Download	Experimental	e6qoeB1	alpha/beta knot	LigPlot