Ligand name: 4-BROMO-3-(CARBOXYMETHOXY)-5-{3-[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-2-CARBOXYLIC ACID
PDB ligand accession: 4B3
DrugBank: n/a
PubChem: 17759043
ChEMBL: CHEMBL243942
InChI Key: OSQARHVGUZHHGT-UHFFFAOYSA-N
SMILES: CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Thiophenes
      • Subclass: Thiophene carboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P18031

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2QBQ	Download	Experimental	e2qbqA1	Flavodoxin-like	LigPlot