Ligand name: 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
PDB ligand accession: J60
DrugBank: DB08009
PubChem: 5329103
ChEMBL: CHEMBL13485
InChI Key: XPLJEFSRINKZLC-ATVHPVEESA-N
SMILES: CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C2c3cc(ccc3NC2=O)Cl)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolines

List of PDB structures and/or AlphaFold models with target protein B6KR85

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3HZT	Download	Experimental	e3hztA1 e3hztA2 e3hztA3	EF-hand Protein kinase/SAICAR synthase/ATP-grasp EF-hand	LigPlot