Ligand name: (1R,2R)-2-[(4aR,7aR)-2-amino-6-(pyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-N-{[(1R,2R)-2-methylcyclopropyl]methyl}cyclopropane-1-carboxamide
PDB ligand accession: QKA
DrugBank: n/a
PubChem: 145704719
ChEMBL: CHEMBL4643727
InChI Key: UKXLLHCQBVONES-MPDRSUQMSA-N
SMILES: CC1CC1CNC(=O)C2CC2C34CN(CC3CSC(=N4)N)c5ncccn5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

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
6UWP	Download	Experimental	e6uwpA1 e6uwpA2 e6uwpB1 e6uwpB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot