Ligand name: 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
PDB ligand accession: A84
DrugBank: DB07323
PubChem: 6102686
ChEMBL: n/a
InChI Key: CTZLIARLNXSXGL-ALCCZGGFSA-N
SMILES: CN(C)CC=Cc1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthalenecarboxylic acids and derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P50579

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1YW9	Download	Experimental	e1yw9A1 e1yw9A2	HTH Creatinase/aminopeptidase-like	LigPlot