Ligand name: N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID
PDB ligand accession: THH
DrugBank: DB11256
PubChem: 444412;5287865;135398561;
ChEMBL: CHEMBL1231574
InChI Key: ZNOVTXRBGFNYRX-STQMWFEESA-N
SMILES: CN1c2c(nc(nc2O)N)NCC1CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pteridines and derivatives
      • Subclass: Pterins and derivatives

List of PDB structures and/or AlphaFold models with target protein B8FUR2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6SJN	Download	Experimental	e6sjnA1	TIM beta/alpha-barrel	LigPlot
6SJS	Download	Experimental	e6sjsA1 e6sjsB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot
6SJO	Download	Experimental	e6sjoA1	TIM beta/alpha-barrel	LigPlot
6SJR	Download	Experimental	e6sjrA1 e6sjrB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot