Ligand name: ADENOSINE-5'-DIPHOSPHATE
PDB ligand accession: ADP
DrugBank: DB16833
PubChem: 6022
ChEMBL: CHEMBL14830
InChI Key: XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P40413

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7YLY	Download	Experimental	e7ylyE2 e7ylyE3 e7ylye2 e7ylye3	Zincin-like GroEL equatorial domain-like GroEL equatorial domain-like Zincin-like	LigPlot
4V8R	Download	Experimental	e4v8rAE1 e4v8rAE3 e4v8rAe1 e4v8rAe3 e4v8rBE1 e4v8rBE3 e4v8rBe1 e4v8rBe3	GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like	LigPlot
6KS6	Download	Experimental	e6ks6e1 e6ks6e3 e6ks6E2 e6ks6E3	Zincin-like GroEL equatorial domain-like GroEL equatorial domain-like Zincin-like	LigPlot
7YLX	Download	Experimental	e7ylxE1 e7ylxE2 e7ylxe2 e7ylxe3	GroEL equatorial domain-like Zincin-like Zincin-like GroEL equatorial domain-like	LigPlot
7YLW	Download	Experimental	e7ylwE2 e7ylwE3 e7ylwe1 e7ylwe2	Zincin-like GroEL equatorial domain-like GroEL equatorial domain-like Zincin-like	LigPlot
4V94	Download	Experimental	e4v94E1 e4v94E3 e4v94M1 e4v94M3 e4v94e1 e4v94e3 e4v94m1 e4v94m3	Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like	LigPlot
4V81	Download	Experimental	e4v81E1 e4v81E3 e4v81M1 e4v81M3 e4v81e1 e4v81e3 e4v81m1 e4v81m3	GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like	LigPlot