Ligand name: 5-(phenylethynyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PDB ligand accession: XP0
DrugBank: n/a
PubChem: 86580349
ChEMBL: CHEMBL3318495
InChI Key: PFDYIZWUJSPGHR-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4
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 O76290

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CLO	Download	Experimental	e4cloA1 e4cloB1 e4cloC1 e4cloD1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot