Ligand name: 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE
PDB ligand accession: RTR
DrugBank: DB08495
PubChem: 447362
ChEMBL: CHEMBL48813
InChI Key: VXONTEUOQXFJJS-UHFFFAOYSA-N
SMILES: c1cc(ccc1CN2CCN(CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N
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 P00742

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1NFY	Download	Experimental	e1nfyA1	cradle loop barrel	LigPlot