Ligand name: [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)
PDB ligand accession: 8JD
DrugBank: n/a
PubChem: 132471741
ChEMBL: n/a
InChI Key: ZYQGAGMIMDQCKA-ZSJPKINUSA-N
SMILES: CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of proteins that are targets for 8JD

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q50I20_8JD	Q50I20	2-methylcitrate synthase, mitochondrial	n/a