Ligand name: ~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide
PDB ligand accession: C5N
DrugBank: n/a
PubChem: 44537856
ChEMBL: CHEMBL4757879
InChI Key: DHKBTAOKHPQHKT-UHFFFAOYSA-N
SMILES: CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P33981

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5O91	Download	Experimental	e5o91A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5MRB	Download	Experimental	e5mrbA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot