Ligand name: 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]-5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)PYRROLIDINIUM
PDB ligand accession: MTI
DrugBank: DB03881
PubChem: 5288855;6323421;131704261;135509130;135678090;
ChEMBL: n/a
InChI Key: CEGIKIXYDFDYDN-RXDXJJGDSA-O
SMILES: CSCC1C(C(C([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q8I3X4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1Q1G	Download	Experimental	e1q1gA1 e1q1gB1 e1q1gC1 e1q1gD1 e1q1gF1 e1q1gE1	Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like	LigPlot