Ligand name: N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine
PDB ligand accession: W5J
DrugBank: n/a
PubChem: 122059464
ChEMBL: CHEMBL5203439
InChI Key: GRUOKIVOQBHPDL-UHFFFAOYSA-N
SMILES: CN(CCC(=O)O)c1c2cc[nH]c2ncn1
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 P0DTD1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5RSG	Download	Experimental	e5rsgA1	Macro domain-like	LigPlot