Ligand name: N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE
PDB ligand accession: SVE
DrugBank: n/a
PubChem: 44556162
ChEMBL: CHEMBL1236095
InChI Key: JFOAJUGFHDCBJJ-UHFFFAOYSA-N
SMILES: CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(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
5AP7	Download	Experimental	e5ap7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2X9E	Download	Experimental	e2x9eA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5NTT	Download	Experimental	e5nttA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot