Ligand name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
PDB ligand accession: ETJ
DrugBank: n/a
PubChem: 93504
ChEMBL: CHEMBL100
InChI Key: TVZCRIROJQEVOT-CABCVRRESA-N
SMILES: CC1(C(C(c2cc(ccc2O1)C#N)N3CCCC3=O)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzopyrans
      • Subclass: 1-benzopyrans

List of PDB structures and/or AlphaFold models with target protein Q63563

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7VLT	Download	Experimental	e7vltA1 e7vltA3	Type II ABC exporter transmembrane domain fold Type II ABC exporter transmembrane domain fold	LigPlot