Ligand name: N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide
PDB ligand accession: HKI
DrugBank: n/a
PubChem: 44560357
ChEMBL: n/a
InChI Key: MIURWHKJMYMLCP-UHFFFAOYSA-N
SMILES: CCOc1cc2c(cc1NC(=O)CCCN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)OCc4ccccn4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Aminoquinolines and derivatives

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3W2Q	Download	Experimental	e3w2qA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2JIV	Download	Experimental	e2jivA1 e2jivB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot