Ligand name: 5'-S-[(3S)-3-azaniumyl-3-carboxypropyl]-5'-thioadenosine
PDB ligand accession: SAO
DrugBank: n/a
PubChem: 56593148;162679664;
ChEMBL: n/a
InChI Key: ZJUKTBDSGOFHSH-WFMPWKQPSA-O
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)[NH3+])O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: 5'-deoxyribonucleosides
      • Subclass: 5'-deoxy-5'-thionucleosides

List of PDB structures and/or AlphaFold models with target protein Q9WVG6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5TBH	Download	Experimental	e5tbhA1 e5tbhC1	Rossmann-like Rossmann-like	LigPlot
5LV2	Download	Experimental	e5lv2A2 e5lv2C1 e5lv2E2 e5lv2G2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot
5TBI	Download	Experimental	e5tbiA1 e5tbiC1	Rossmann-like Rossmann-like	LigPlot
5ISC	Download	Experimental	e5iscA2 e5iscC1	Rossmann-like Rossmann-like	LigPlot
5ISF	Download	Experimental	e5isfC1	Rossmann-like	LigPlot
5ISD	Download	Experimental	e5isdA1 e5isdC2 e5isdD1	Rossmann-like Rossmann-like Rossmann-like	LigPlot