Ligand name: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
PDB ligand accession: BI1
DrugBank: DB03777
PubChem: 2396
ChEMBL: CHEMBL7463
InChI Key: QMGUOJYZJKLOLH-UHFFFAOYSA-N
SMILES: CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5
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 P11309

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1XWS	Download	Experimental	e1xwsA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2BIK	Download	Experimental	e2bikB1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2BIL	Download	Experimental	e2bilB1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot