Ligand name: benzothiophene 2 carboxylic acid
PDB ligand accession: ND8
DrugBank: n/a
PubChem: 95864
ChEMBL: CHEMBL312607
InChI Key: DYSJMQABFPKAQM-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cc(s2)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiophenes
      • Subclass: 1-benzothiophenes

List of PDB structures and/or AlphaFold models with target protein A2QHE5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6TIO	Download	Experimental	e6tioAAA1 e6tioAAA3	cradle loop barrel Alpha-lytic protease prodomain-like	LigPlot
6TIH	Download	Experimental	e6tihAAA1 e6tihAAA3	Alpha-lytic protease prodomain-like cradle loop barrel	LigPlot