Ligand name: (3S)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide
PDB ligand accession: 0JF
DrugBank: n/a
PubChem: 56596558
ChEMBL: CHEMBL2023534
InChI Key: BAQAWVMHTOQJCI-FQEVSTJZSA-N
SMILES: Cc1ccc(cc1)CNC(=O)C2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Aniline and substituted anilines

List of PDB structures and/or AlphaFold models with target protein Q9UM73

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4DCE	Download	Experimental	e4dceA1 e4dceB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot