Ligand name: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide
PDB ligand accession: 3UJ
DrugBank: n/a
PubChem: 91623361
ChEMBL: CHEMBL3414623
InChI Key: PNYRDVBFYVDJJI-UHFFFAOYSA-N
SMILES: Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9NRG4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4WUY	Download	Experimental	e4wuyA2	beta-clip	LigPlot