Ligand name: methyl (2Z)-3-[(3-chloro-1H-indol-7-yl)amino]-2-cyano-3-{[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino}acrylate
PDB ligand accession: ENS
DrugBank: n/a
PubChem: 25138140
ChEMBL: CHEMBL459141
InChI Key: QDGDCWKBZPDHTQ-UZXYXVAJSA-N
SMILES: COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)NC3CCCCN(C3=O)CC(=O)N4CCCC4)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P00742

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ENS	Download	Experimental	e3ensB1 e3ensA1 e3ensD1	cradle loop barrel EGF-like cradle loop barrel	LigPlot