Ligand name: 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL
PDB ligand accession: CQA
DrugBank: DB00613
PubChem: 2165;3647519;
ChEMBL: CHEMBL682
InChI Key: OVCDSSHSILBFBN-UHFFFAOYSA-N
SMILES: CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl
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 P50135

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2AOU	Download	Experimental	e2aouA1 e2aouB1	Rossmann-like Rossmann-like	LigPlot