Ligand name: 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate
PDB ligand accession: VXY
DrugBank: n/a
PubChem: 124193915
ChEMBL: CHEMBL4756555
InChI Key: RTOREZYNLPQUKM-FQEVSTJZSA-N
SMILES: c1c(cnc(n1)N)c2c(c(nc(n2)N3CCOCC3)NC4(CCN(C4)C(=O)OCC(F)F)CO)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolidines
      • Subclass: Pyrrolidine carboxylic acids and derivatives

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
7K6M	Download	Experimental	e7k6mA3	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot