Ligand name: ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide
PDB ligand accession: N78
DrugBank: n/a
PubChem: 154700553
ChEMBL: n/a
InChI Key: ZTEPVLSNULOZJI-UHFFFAOYSA-N
SMILES: CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O
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 P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6TG0	Download	Experimental	e6tg0A1 e6tg0B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot