Ligand name: ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
PDB ligand accession: V25
DrugBank: DB08691
PubChem: 44237094
ChEMBL: CHEMBL1236620
InChI Key: CXJCGSPAPOTTSF-VURMDHGXSA-N
SMILES: CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)C(=CN)C#N
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49759

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6TW2	Download	Experimental	e6tw2E1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2VAG	Download	Experimental	e2vagA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6QTY	Download	Experimental	e6qtyA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot