Ligand name: 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
PDB ligand accession: BI2
DrugBank: DB07456
PubChem: 448943
ChEMBL: n/a
InChI Key: LBFDERUQORUFIN-QGZVFWFLSA-N
SMILES: CN1CCCC1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: N-alkylindoles

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein O15530

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1UU7	Download	Experimental	e1uu7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot