Ligand name: ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE
PDB ligand accession: BTX
DrugBank: DB04651
PubChem: 6102809
ChEMBL: CHEMBL1231498
InChI Key: KBOGUFFJCBPJEH-SQGSUPJISA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OCCCCCC4C5C(CS4)NC(=O)N5)O)O)N

ClassyFire chemical classification:

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

List of proteins that are targets for BTX

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	E5R5T0_BTX	E5R5T0	n/a
2	P06709_BTX	P06709	n/a	Ki(nM) = 87.0 Kd(nM) = 1.5
3	O57883_BTX	O57883	n/a