Ligand name: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide
PDB ligand accession: 1LT
DrugBank: DB12015
PubChem: 56649450
ChEMBL: CHEMBL2396661
InChI Key: STUWGJZDJHPWGZ-LBPRGKRZSA-N
SMILES: Cc1c(sc(n1)NC(=O)N2CCCC2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P42336

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7MYO	Download	Experimental	e7myoA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8GUB	Download	Experimental	e8gubA4	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8GUD	Download	Experimental	e8gudA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4JPS	Download	Experimental	e4jpsA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
8GUA	Download	Experimental	e8guaA4	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7PG6	Download	Experimental	e7pg6A2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot