Ligand name: 4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
PDB ligand accession: R72
DrugBank: n/a
PubChem: 154815692
ChEMBL: CHEMBL5279050
InChI Key: PWYRDVXYAOGDNK-JGCGQSQUSA-N
SMILES: CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NCc5ccccc5)O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Benzylpiperidines

List of PDB structures and/or AlphaFold models with target protein Q86U44

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7ACD	Download	Experimental	e7acdA1	Rossmann-like	LigPlot