Ligand name: ~{N}-[2-[(1~{S},2~{S})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide
PDB ligand accession: 6XK
DrugBank: n/a
PubChem: 137348542
ChEMBL: n/a
InChI Key: CAQMRKQVHMXQJL-ACJLOTCBSA-N
SMILES: CC(=O)Nc1cc(ccc1C2CC2CN)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[1,5-a]pyrimidines

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KU8	Download	Experimental	e5ku8A1 e5ku8B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot