Ligand name: 1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PDB ligand accession: CKJ
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL2036808
InChI Key: OGEBRHQLRGFBNV-RZDIXWSQSA-N
SMILES: CCCCNc1ncc2c(nn(c2n1)CC3CCC(CC3)N)c4ccc(cc4)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

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
3TCP	Download	Experimental	e3tcpA1 e3tcpB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot