Ligand name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
PDB ligand accession: 68P
DrugBank: DB01175
PubChem: 146570
ChEMBL: CHEMBL1508
InChI Key: WSEQXVZVJXJVFP-FQEVSTJZSA-N
SMILES: CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylbutylamines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P31645

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5I75	Download	Experimental	e5i75A1	Sodium:neurotransmitter symporter family (SNF)-like	LigPlot
5I71	Download	Experimental	e5i71A1	Sodium:neurotransmitter symporter family (SNF)-like	LigPlot
5I73	Download	Experimental	e5i73A1	Sodium:neurotransmitter symporter family (SNF)-like	LigPlot