Ligand name: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-methyl-piperidin-4-amine
PDB ligand accession: 95N
DrugBank: n/a
PubChem: 118165313
ChEMBL: CHEMBL4086986
InChI Key: DRIHQKATVUWZLY-UHFFFAOYSA-N
SMILES: CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q13231

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5NR8	Download	Experimental	e5nr8A1 e5nr8A2	FKBP-like TIM beta/alpha-barrel	LigPlot