Ligand name: (1R,2S,3R,5R)-3-({5-(1,3-benzothiazol-2-yl)-6-chloro-2-[(3-methoxypropyl)amino]pyrimidin-4-yl}amino)-5-(hydroxymethyl)cyclopentane-1,2-diol
PDB ligand accession: 42P
DrugBank: n/a
PubChem: 58570790
ChEMBL: n/a
InChI Key: JCZKEQVPLPZLFI-ZPUIDXCVSA-N
SMILES: COCCCNc1nc(c(c(n1)Cl)c2nc3ccccc3s2)NC4CC(C(C4O)O)CO
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
4XS2	Download	Experimental	e4xs2A1 e4xs2B1 e4xs2C1 e4xs2D1	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