Ligand name: 2,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN- 4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE
PDB ligand accession: 1N9
DrugBank: n/a
PubChem: 11843159
ChEMBL: CHEMBL386760
InChI Key: VSJXTUFWPAOYLC-UHFFFAOYSA-N
SMILES: Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Phenylcarbamic acid esters

List of PDB structures and/or AlphaFold models with target protein P06239

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2OFU	Download	Experimental	e2ofuA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot