Ligand name: 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
PDB ligand accession: N1A
DrugBank: n/a
PubChem: 146681117
ChEMBL: CHEMBL4440980
InChI Key: UHCMUGYUWQCODZ-MRXNPFEDSA-N
SMILES: CC1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F
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 Q00534

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OQL	Download	Experimental	e6oqlA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot