Ligand name: (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine
PDB ligand accession: XFE
DrugBank: n/a
PubChem: 45480169
ChEMBL: CHEMBL1173273
InChI Key: SMTIKTZYKPWXQP-MRVPVSSYSA-N
SMILES: Cc1c[nH]c2c1c(ncn2)N3CCC(C3)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: Pyrrolo[2,3-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein P17612

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3MVJ	Download	Experimental	e3mvjA1 e3mvjE1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot