Ligand name: 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoyl-spiro[5,6-dihydro-1~{H}-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
PDB ligand accession: 35Z
DrugBank: n/a
PubChem: 156621361
ChEMBL: CHEMBL5083976
InChI Key: XYZWQPFTGADMOX-UHFFFAOYSA-N
SMILES: COc1cccc(c1)c2nccc(n2)c3cc4c([nH]3)C5(CCN(CC5)C(=O)C=C)CNC4=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: N-acylpiperidines

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
7OXB	Download	Experimental	e7oxbA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot