Ligand name: N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
PDB ligand accession: F62
DrugBank: n/a
PubChem: 72201501
ChEMBL: CHEMBL3633143
InChI Key: VJQPNQROUWVJQN-UHFFFAOYSA-N
SMILES: CC1=CC(=O)N(c2c1cnc(n2)Nc3ccc(cc3OC)N4CCN(CC4)C)c5cccc(c5)NC(=O)C=C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5GMP	Download	Experimental	e5gmpA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot