Ligand name: 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE
PDB ligand accession: RDR
DrugBank: n/a
PubChem: 447361
ChEMBL: CHEMBL157813
InChI Key: NZNFLUOJACWZKX-UHFFFAOYSA-N
SMILES: c1cc(cc2c1cc(s2)S(=O)(=O)N3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl
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
1NFX	Download	Experimental	e1nfxA1	cradle loop barrel	LigPlot