Ligand name: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE
PDB ligand accession: CBE
DrugBank: DB04657
PubChem: 21307
ChEMBL: CHEMBL1231667
InChI Key: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
SMILES: CC1=C(SCCO1)C(=O)Nc2ccccc2
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P69054

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2WU5	Download	Experimental	e2wu5B1 e2wu5C1 e2wu5D1 e2wu5F1 e2wu5G1 e2wu5H1 e2wu5J1 e2wu5K1 e2wu5L1	alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
2WS3	Download	Experimental	e2ws3B1 e2ws3C1 e2ws3D1 e2ws3F1 e2ws3G1 e2ws3H1 e2ws3J1 e2ws3K1 e2ws3L1	alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
2WP9	Download	Experimental	e2wp9B1 e2wp9C1 e2wp9D1 e2wp9F1 e2wp9G1 e2wp9H1 e2wp9J1 e2wp9K1 e2wp9L1	alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
2WU2	Download	Experimental	e2wu2B1 e2wu2C1 e2wu2D1 e2wu2F1 e2wu2G1 e2wu2H1 e2wu2J1 e2wu2K1 e2wu2L1	alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot
2WDQ	Download	Experimental	e2wdqB1 e2wdqC1 e2wdqD1 e2wdqF1 e2wdqG1 e2wdqH1 e2wdqJ1 e2wdqK1 e2wdqL1	alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle alpha-helical ferredoxin-like Transmembrane heme-binding four-helical bundle Transmembrane heme-binding four-helical bundle	LigPlot