Ligand name: 2,2,2-trifluoromethyl acetophenone hydrate
PDB ligand accession: 9RH
DrugBank: n/a
PubChem: 14924416
ChEMBL: n/a
InChI Key: APDULARNYREANX-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C(C(F)(F)F)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein D2B7Z8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5OCM	Download	Experimental	e5ocmA1 e5ocmA2 e5ocmF1 e5ocmF2 e5ocmB1 e5ocmC1 e5ocmC2 e5ocmB1 e5ocmB2 e5ocmC2 e5ocmD1 e5ocmE1 e5ocmE2 e5ocmD1 e5ocmD2 e5ocmE1 e5ocmE2 e5ocmA1 e5ocmA2 e5ocmF2	6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like 6-phosphogluconate dehydrogenase C-terminal domain-like Rossmann-like 6-phosphogluconate dehydrogenase C-terminal domain-like	LigPlot