Ligand name: 1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]prop-2-en-1-one
PDB ligand accession: G5K
DrugBank: n/a
PubChem: 56940984
ChEMBL: n/a
InChI Key: LZANMDGKZJPQIB-HNNXBMFYSA-N
SMILES: C=CC(=O)N1CCC(C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolidines
      • Subclass: N-acylpyrrolidines

List of PDB structures and/or AlphaFold models with target protein Q08881

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4KIO	Download	Experimental	e4kioC1 e4kioA1 e4kioB1 e4kioD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot