Ligand name: (3~{R})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-(1-methylcyclobutyl)propanoic acid
PDB ligand accession: 6NU
DrugBank: n/a
PubChem: 71251345
ChEMBL: n/a
InChI Key: BEVIQKVDXVXDJA-CQSZACIVSA-N
SMILES: CC1(CCC1)C(CC(=O)O)Nc2c(cnc(n2)c3c[nH]c4c3cc(cn4)F)F
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 Q30NP1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JUN	Download	Experimental	e5junA1	Polymerase basic protein 2 cap-binding domain	LigPlot