Ligand name: N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PDB ligand accession: 2VL
DrugBank: n/a
PubChem: 25234918
ChEMBL: CHEMBL2057915
InChI Key: CDOOFZZILLRUQH-GDLZYMKVSA-N
SMILES: Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)C6C(=O)N(CCN6C)C)C
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 Q06187

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5P9F	Download	Experimental	e5p9fA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4OTF	Download	Experimental	e4otfA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot