Ligand name: methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
PDB ligand accession: F65
DrugBank: n/a
PubChem: 137349318
ChEMBL: CHEMBL4251359
InChI Key: HLBWOHTYZSIRPE-UHFFFAOYSA-N
SMILES: CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q4Q5S8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6GNS	Download	Experimental	e6gnsA1 e6gnsA2	Nat/Ivy Nat/Ivy	LigPlot