Ligand name: 1-methyl-3-oxidanyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-4-carboxylic acid
PDB ligand accession: E2N
DrugBank: n/a
PubChem: 85469100
ChEMBL: CHEMBL4458056
InChI Key: ZOSMQYUVHWSYCZ-UHFFFAOYSA-N
SMILES: Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q54A96

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6I4B	Download	Experimental	e6i4bA1 e6i4bB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot