Ligand name: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione
PDB ligand accession: 83G
DrugBank: n/a
PubChem: 507771;5495818;
ChEMBL: CHEMBL337301
InChI Key: OKGPFTLYBPQBIX-CQSZACIVSA-N
SMILES: CC1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein O40222

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8FAE	Download	Experimental	e8faeC2 e8faeC3 e8faeE1 e8faeE2 e8faeE3 e8faeA2 e8faeA3	Ribosomal protein L31e-like gp120 inner domain V1/V2 domain in HIV gp120 Ribosomal protein L31e-like gp120 inner domain Ribosomal protein L31e-like gp120 inner domain	LigPlot