Ligand name: 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
PDB ligand accession: NW2
DrugBank: n/a
PubChem: 146673502
ChEMBL: CHEMBL4646141
InChI Key: KXSZMPGKDDBJRE-HSZRJFAPSA-N
SMILES: CC(C)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)CCOc4c(cccc4OC)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 P03951

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6TS5	Download	Experimental	e6ts5A1	cradle loop barrel	LigPlot