Ligand name: (4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium
PDB ligand accession: HT5
DrugBank: n/a
PubChem: 24764435
ChEMBL: CHEMBL4527540
InChI Key: PZUMIWRJDZWNPN-LBPRGKRZSA-N
SMILES: CCCCCCCCCC(=O)NC1CCSC1=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q97VT7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2VC7	Download	Experimental	e2vc7A1 e2vc7B1 e2vc7C1 e2vc7D1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
4KF1	Download	Experimental	e4kf1A1 e4kf1B1 e4kf1C1 e4kf1D1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot