Ligand name: methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate
PDB ligand accession: F8E
DrugBank: n/a
PubChem: 71720884
ChEMBL: CHEMBL4517951
InChI Key: YHDDNFHODNKNQV-UHFFFAOYSA-N
SMILES: COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q5TCY1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BTM	Download	Experimental	e4btmA1 e4btmB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot