Ligand name: 2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PDB ligand accession: NWJ
DrugBank: n/a
PubChem: 118708947
ChEMBL: CHEMBL3318494
InChI Key: YJUYKLYWYFTFQN-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=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 O76290

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CM5	Download	Experimental	e4cm5A1 e4cm5B1 e4cm5C1 e4cm5D1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot