Ligand name: 4-[2-(butylamino)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
PDB ligand accession: R6N
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL3326006
InChI Key: MJSHVHLADKXCML-RQNOJGIXSA-N
SMILES: CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein Q12866

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7AB2	Download	Experimental	e7ab2A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot