Ligand name: 1-(5-azanyl-4~{H}-1,2,4-triazol-3-yl)-~{N}-[2-(4-bromophenyl)ethyl]-~{N}-(2-methylpropyl)piperidin-4-amine
PDB ligand accession: 95K
DrugBank: n/a
PubChem: 118165287
ChEMBL: CHEMBL4068944
InChI Key: WDVUKPMRFMWTDG-UHFFFAOYSA-N
SMILES: CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)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
5NRA	Download	Experimental	e5nraA1 e5nraA2	TIM beta/alpha-barrel FKBP-like	LigPlot