Ligand name: 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one
PDB ligand accession: WFD
DrugBank: n/a
PubChem: 155804589
ChEMBL: CHEMBL4783926
InChI Key: GPGFFJPUFNKAFY-UHFFFAOYSA-N
SMILES: Cc1cc([nH]n1)Nc2cc(nc(n2)c3ccc(cc3)C4CCN(CC4)C(=O)C=C)N5CCN(CC5)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Phenylpiperidines

List of PDB structures and/or AlphaFold models with target protein P21802

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7KIA	Download	Experimental	e7kiaA1 e7kiaB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot