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 Q548M1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4PKO	Download	Experimental	e4pkoA1 e4pkoA3 e4pkoB1 e4pkoB3 e4pkoC1 e4pkoC3 e4pkoD1 e4pkoD3 e4pkoE1 e4pkoE3 e4pkoF1 e4pkoF3 e4pkoG1 e4pkoG3 e4pkoH1 e4pkoH3 e4pkoI1 e4pkoI3 e4pkoJ1 e4pkoJ3 e4pkoK1 e4pkoK3 e4pkoL1 e4pkoL3 e4pkoM1 e4pkoM3 e4pkoN1 e4pkoN3	GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like 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
4KI8	Download	Experimental	e4ki8A1 e4ki8A2 e4ki8B1 e4ki8B2 e4ki8C1 e4ki8C2 e4ki8D1 e4ki8D2 e4ki8E1 e4ki8E2 e4ki8F1 e4ki8F2 e4ki8G1 e4ki8G2	GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like 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
4PKN	Download	Experimental	e4pknG1 e4pknG3 e4pknA1 e4pknA3 e4pknB1 e4pknB3 e4pknF1 e4pknF3 e4pknE1 e4pknE3 e4pknC1 e4pknC3 e4pknD1 e4pknD3 e4pknK1 e4pknK3 e4pknJ1 e4pknJ3 e4pknI1 e4pknI3 e4pknL1 e4pknL3 e4pknM1 e4pknM3 e4pknH1 e4pknH3 e4pknN1 e4pknN3	GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like GroEL equatorial domain-like Zincin-like 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