Ligand name: (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol
PDB ligand accession: 3RK
DrugBank: n/a
PubChem: 10080697
ChEMBL: CHEMBL13922
InChI Key: MRFFNLOQLBWKPJ-UNTFVMJOSA-N
SMILES: C1C(C(C(C(CN1)O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azepanes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P04062

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3RIL	Download	Experimental	e3rilA2 e3rilB2 e3rilC2 e3rilD2	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot