Ligand name: (1R,2S,3R,5R)-3-{[5-(1,3-benzothiazol-2-yl)-2-(propylamino)pyrimidin-4-yl]amino}-5-(hydroxymethyl)cyclopentane-1,2-diol
PDB ligand accession: 4S1
DrugBank: n/a
PubChem: 91844450
ChEMBL: CHEMBL3403447
InChI Key: HIFONLZQROGEJE-PREXVCJDSA-N
SMILES: CCCNc1ncc(c(n1)NC2CC(C(C2O)O)CO)c3nc4ccccc4s3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9NWZ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ZTL	Download	Experimental	e4ztlA1 e4ztlB1 e4ztlC1 e4ztlD1	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