Ligand name: (2S,3S,4R,5S,2'S,3'S,4'R,5'S)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol)
PDB ligand accession: 68F
DrugBank: n/a
PubChem: 118704924
ChEMBL: n/a
InChI Key: FSZVPMVCORPBFY-OPEDVLRTSA-N
SMILES: CC1C(C(C(N1)CCCCC2C(C(C(N2)C)O)O)O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q8A3I4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5I5R	Download	Experimental	e5i5rA2 e5i5rB1 e5i5rC2 e5i5rD1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot