Ligand name: P1-P2-METHYLENE-P3-THIO-DIADENOSINE TRIPHOSPHATE
PDB ligand accession: IB2
DrugBank: DB04389
PubChem: n/a
ChEMBL: n/a
InChI Key: UJCWOSLCGXVJOD-LCHUORCTSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)S)O)O)O)N
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P49789

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1FHI	Download	Experimental	e1fhiA1	HIT-like	LigPlot
2FHI	Download	Experimental	e2fhiA1	HIT-like	LigPlot