Ligand name: CHIR99021
PDB ligand accession: 65C
DrugBank: n/a
PubChem: 9956119
ChEMBL: CHEMBL412142
InChI Key: AQGNHMOJWBZFQQ-UHFFFAOYSA-N
SMILES: Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein P49841

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6B8J	Download	Experimental	e6b8jA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5HLN	Download	Experimental	e5hlnA1 e5hlnB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot