Ligand name: 1-(3-azanyl-1~{H}-1,2,4-triazol-5-yl)-~{N}-[2-(4-chlorophenyl)ethyl]-~{N}-(phenylmethyl)piperidin-4-amine
PDB ligand accession: 95Q
DrugBank: n/a
PubChem: 118165243
ChEMBL: CHEMBL4077482
InChI Key: RMLGDXMULTYVKN-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)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
5NRF	Download	Experimental	e5nrfA1 e5nrfA2	FKBP-like TIM beta/alpha-barrel	LigPlot