Ligand name: (2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID
PDB ligand accession: SIB
DrugBank: n/a
PubChem: 440011;5280593;49791966;135398693;136181832;
ChEMBL: CHEMBL559715
InChI Key: VNPWVMVYUSNFAW-WFMPWKQPSA-N
SMILES: c1nc2c(n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N=CNC2=O
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 P50251

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7R38	Download	Experimental	e7r38A1 e7r38A2 e7r38B1 e7r38B2	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot