Ligand name: 5-(4-((2S,5S)-5-(4-chlorobenzyl)-2-methylmorpholino)piperidin-1-yl)-4H-1,2,4-triazol-3-amine
PDB ligand accession: QGB
DrugBank: DB18065
PubChem: 126642132
ChEMBL: CHEMBL4788866
InChI Key: STWVLEKJQQRGMO-GUYCJALGSA-N
SMILES: CC1CN(C(CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

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
6ZE8	Download	Experimental	e6ze8A1 e6ze8A2 e6ze8B1 e6ze8B2 e6ze8C1 e6ze8C2 e6ze8D1 e6ze8D2 e6ze8E1 e6ze8E2 e6ze8F1 e6ze8F2	TIM beta/alpha-barrel FKBP-like FKBP-like TIM beta/alpha-barrel FKBP-like TIM beta/alpha-barrel TIM beta/alpha-barrel FKBP-like FKBP-like TIM beta/alpha-barrel FKBP-like TIM beta/alpha-barrel	LigPlot