Ligand name: N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
PDB ligand accession: XQ3
DrugBank: n/a
PubChem: 23630211
ChEMBL: CHEMBL4461515
InChI Key: IVYQPSHHYIAUFO-VXKWHMMOSA-N
SMILES: CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(CO)NS(=O)(=O)c2ccc(cc2Cl)Cl)NC(=O)c3cc4ccccc4s3
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 Q9HBA0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8FCB	Download	Experimental	e8fcbA2 e8fcbB2 e8fcbC2 e8fcbD2	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot
8FC8	Download	Experimental	e8fc8A1 e8fc8B2 e8fc8C2 e8fc8D2	Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels Voltage-gated ion channels	LigPlot