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 Q75760

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7N6U	Download	Experimental	e7n6uA1 e7n6uA2 e7n6uB1 e7n6uB2 e7n6uB4 e7n6uC1 e7n6uC2	Ribosomal protein L31e-like gp120 inner domain Ribosomal protein L31e-like gp120 inner domain V1/V2 domain in HIV gp120 Ribosomal protein L31e-like gp120 inner domain	LigPlot
7N6W	Download	Experimental	e7n6wA1 e7n6wA2 e7n6wB1 e7n6wB2 e7n6wB4 e7n6wC1 e7n6wC2	Ribosomal protein L31e-like gp120 inner domain Ribosomal protein L31e-like gp120 inner domain V1/V2 domain in HIV gp120 Ribosomal protein L31e-like gp120 inner domain	LigPlot