Ligand name: methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate
PDB ligand accession: 0JG
DrugBank: n/a
PubChem: 137347864
ChEMBL: n/a
InChI Key: ZJERBAYUHUAUBE-GZTQLTBSSA-N
SMILES: Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)C=CCO)CC(C#N)C(=O)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein P51812

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4D9T	Download	Experimental	e4d9tA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot