Ligand name: (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide
PDB ligand accession: VJK
DrugBank: DB12566
PubChem: 59422203
ChEMBL: CHEMBL3039513
InChI Key: ASUGUQWIHMTFJL-QGZVFWFLSA-N
SMILES: CCC(C)(C(=O)NCC(F)(F)F)Nc1ccnc(n1)c2c[nH]c3c2cccn3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O60674

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YTI	Download	Experimental	e4ytiA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot