Ligand name: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
PDB ligand accession: DB8
DrugBank: DB06616
PubChem: 5328940
ChEMBL: CHEMBL288441
InChI Key: UBPYILGKFZZVDX-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P12931

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MXZ	Download	Experimental	e4mxzA1 e4mxzB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4MXY	Download	Experimental	e4mxyA2 e4mxyB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4MXO	Download	Experimental	e4mxoA1 e4mxoB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4MXX	Download	Experimental	e4mxxA1 e4mxxB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot