Ligand name: 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PDB ligand accession: UHX
DrugBank: n/a
PubChem: 86580361
ChEMBL: CHEMBL3318911
InChI Key: MTCWKPIXTKCOED-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N
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 O76290

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CMG	Download	Experimental	e4cmgA1 e4cmgB1 e4cmgC1 e4cmgA1 e4cmgD1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot