Ligand name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
PDB ligand accession: HUF
DrugBank: n/a
PubChem: 155818543
ChEMBL: n/a
InChI Key: KZQASMOVHMAAKH-MZWSMYJRSA-N
SMILES: Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Flavin nucleotides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9WYT0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7NDW	Download	Experimental	e7ndwA1 e7ndwC1 e7ndwD1 e7ndwB1 e7ndwC1 e7ndwD1	Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1	LigPlot
7NDZ	Download	Experimental	e7ndzA1 e7ndzC1 e7ndzD1 e7ndzA1 e7ndzB1 e7ndzC1 e7ndzA1 e7ndzB1 e7ndzD1	Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1 Thymidylate synthase-complementing protein Thy1	LigPlot