Ligand name: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID
PDB ligand accession: CXS
DrugBank: DB02219
PubChem: 70815;12546061;
ChEMBL: n/a
InChI Key: PJWWRFATQTVXHA-UHFFFAOYSA-N
SMILES: C1CCC(CC1)NCCCS(=O)(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Cyclohexylamines

List of PDB structures and/or AlphaFold models with target protein Q8I302

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JWB	Download	Experimental	e5jwbA1 e5jwbA3 e5jwbA4 e5jwbH1 e5jwbH3 e5jwbH4	Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot