Ligand name: ISPINESIB MESILATE
PDB ligand accession: G7X
DrugBank: DB06188
PubChem: 6851740
ChEMBL: CHEMBL228814
InChI Key: QJZRFPJCWMNVAV-HHHXNRCGSA-N
SMILES: Cc1ccc(cc1)C(=O)N(CCCN)C(C2=Nc3cc(ccc3C(=O)N2Cc4ccccc4)Cl)C(C)C
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Toluenes

List of PDB structures and/or AlphaFold models with target protein P52732

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AP0	Download	Experimental	e4ap0A1 e4ap0B2 e4ap0C1 e4ap0D1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
4A5Y	Download	Experimental	e4a5yA2 e4a5yB1 e4a5yC1	P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot