Ligand name: (2S)-1,3-benzothiazol-2-yl{2-[(2-pyridin-3-ylethyl)amino]pyrimidin-4-yl}ethanenitrile
PDB ligand accession: JN5
DrugBank: DB08022
PubChem: 46937117
ChEMBL: n/a
InChI Key: RCYPVQCPYKNSTG-OAHLLOKOSA-N
SMILES: c1ccc2c(c1)nc(s2)C(C#N)c3ccnc(n3)NCCc4cccnc4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzothiazoles
      • Subclass: None

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P11309

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3CY3	Download	Experimental	e3cy3A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot