Ligand name: tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate
PDB ligand accession: 0JH
DrugBank: n/a
PubChem: 137347865
ChEMBL: n/a
InChI Key: YQNJEMHLWSEPFO-KRWDZBQOSA-N
SMILES: Cc1ccc(cc1)c2c(n(c3c2c(ncn3)N)CCCO)CC(C#N)C(=O)OC(C)(C)C
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
4D9U	Download	Experimental	e4d9uA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot