Ligand name: 4-[(1R)-1-[1-(4-chlorophenyl)-1,2,3-triazol-4-yl]ethoxy]-1-oxidanyl-quinoline
PDB ligand accession: 2YA
DrugBank: n/a
PubChem: 44220271
ChEMBL: CHEMBL549612
InChI Key: SVKHERCOWKMPQO-CYBMUJFWSA-N
SMILES: CC(c1cn(nn1)c2ccc(cc2)Cl)Oc3cc[n+](c4c3cccc4)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Triazoles

List of PDB structures and/or AlphaFold models with target protein Q0TN42

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Q33	Download	Experimental	e4q33A1 e4q33C1 e4q33B1 e4q33D1 e4q33C1 e4q33D1 e4q33E1 e4q33G1 e4q33E1 e4q33F1 e4q33G1 e4q33H1 e4q33F1 e4q33H1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot