Ligand name: (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PDB ligand accession: 4B2
DrugBank: DB13065
PubChem: 44251605
ChEMBL: CHEMBL2333941
InChI Key: MJQMRGWYPNIERM-HNNXBMFYSA-N
SMILES: CC1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein P56817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4YBI	Download	Experimental	e4ybiA1 e4ybiA2 e4ybiB1 e4ybiB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot