Ligand name: (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide
PDB ligand accession: 73A
DrugBank: n/a
PubChem: 129626280
ChEMBL: n/a
InChI Key: VJGVUTLADNGMJV-XNTDXEJSSA-N
SMILES: CC(C)NC(=O)C(=Cc1c(c2c(ncnc2n1CCOC)N)c3ccc(cc3)Cl)C#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 P00523

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5T0P	Download	Experimental	e5t0pA1 e5t0pB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot