Ligand name: 2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole
PDB ligand accession: QSM
DrugBank: n/a
PubChem: 134230898
ChEMBL: n/a
InChI Key: XKWJVTCJPRLPJR-UHFFFAOYSA-N
SMILES: CC(C)c1c2cc(ccc2[nH]c1c3ccc(c(c3)OC)OC)C4CCNCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indoles

List of PDB structures and/or AlphaFold models with target protein Q9NR97

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6V9U	Download	Experimental	e6v9uA1 e6v9uA2 e6v9uB1 e6v9uA1 e6v9uB2	Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix Single-stranded right-handed beta-helix	LigPlot