Ligand name: 4-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-2,7-bis(methylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
PDB ligand accession: E0V
DrugBank: n/a
PubChem: 134693806
ChEMBL: n/a
InChI Key: FTTVFXSMHOJZPZ-KVMGVCFTSA-N
SMILES: CNc1ccc2c3c(c(nc(n3)NC)N4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O)O)sc2n1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein U2KI81

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8DHW	Download	Experimental	e8dhwA1 e8dhwA3 e8dhwB2 e8dhwB3	TIM beta/alpha-barrel jelly-roll jelly-roll TIM beta/alpha-barrel	LigPlot