PDB ligand accession: IMP
DrugBank: DB04566
PubChem: 8582;5280323;135398640;
ChEMBL:
InChI Key: GRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES: c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Purine nucleotides
- Subclass: Purine ribonucleotides
- Class: Purine nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 7RGL | Download | Experimental | e7rglA1 e7rglD1 e7rglA1 e7rglB1 e7rglB1 e7rglC2 e7rglC2 e7rglD1 e7rglE1 e7rglH1 e7rglE1 e7rglF2 e7rglF2 e7rglG1 e7rglG1 e7rglH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RGQ | Download | Experimental | e7rgqA1 e7rgqB1 e7rgqC2 e7rgqD1 e7rgqE2 e7rgqF1 e7rgqG1 e7rgqH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RFG | Download | Experimental | e7rfgA1 e7rfgB1 e7rfgB1 e7rfgC2 e7rfgC2 e7rfgD1 e7rfgA1 e7rfgD1 e7rfgE2 e7rfgF1 e7rfgF1 e7rfgG1 e7rfgG1 e7rfgH2 e7rfgE2 e7rfgH2 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RES | Download | Experimental | e7resA2 e7resB1 e7resB1 e7resC1 e7resD2 e7resE1 e7resF1 e7resF1 e7resG1 e7resH2 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RGM | Download | Experimental | e7rgmA1 e7rgmD1 e7rgmA1 e7rgmB2 e7rgmB2 e7rgmC2 e7rgmC2 e7rgmD1 e7rgmE2 e7rgmH1 e7rgmE2 e7rgmF1 e7rgmF1 e7rgmG1 e7rgmG1 e7rgmH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RER | Download | Experimental | e7rerA1 e7rerB1 e7rerA1 e7rerD1 e7rerD1 e7rerC1 e7rerC1 e7rerB1 e7rerE1 e7rerF1 e7rerE1 e7rerH1 e7rerH1 e7rerG1 e7rerG1 e7rerF1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RFE | Download | Experimental | e7rfeA2 e7rfeB1 e7rfeB1 e7rfeC1 e7rfeC1 e7rfeD1 e7rfeA2 e7rfeD1 e7rfeE2 e7rfeF2 e7rfeF2 e7rfeG1 e7rfeG1 e7rfeH2 e7rfeE2 e7rfeH2 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RFI | Download | Experimental | e7rfiA1 e7rfiB1 e7rfiB1 e7rfiC1 e7rfiC1 e7rfiD1 e7rfiA1 e7rfiD1 e7rfiE1 e7rfiF1 e7rfiF1 e7rfiG1 e7rfiG1 e7rfiH1 e7rfiE1 e7rfiH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
| 7RGI | Download | Experimental | e7rgiA1 e7rgiB1 e7rgiC1 e7rgiD1 e7rgiE1 e7rgiF1 e7rgiG1 e7rgiH1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |