Ligand name: [(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
PDB ligand accession: A4G
DrugBank: n/a
PubChem: 129900195
ChEMBL: CHEMBL4086173
InChI Key: YDGQZYCXWPQCTM-SNVBAGLBSA-N
SMILES: Cc1c[nH]c2c1c(ncn2)N3CCCC(C3)CO
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 P50053

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WBM	Download	Experimental	e5wbmA1 e5wbmB1	Rossmann-like Rossmann-like	LigPlot