PDB ligand accession: PEG
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: MTHSVFCYNBDYFN-UHFFFAOYSA-N
SMILES: C(COCCO)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Ethers
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 7KVR | Download | Experimental | e7kvrA2 e7kvrA1 e7kvrA2 e7kvrB1 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel | LigPlot |
| 8DS0 | Download | Experimental | e8ds0A1 e8ds0A2 e8ds0B2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel | LigPlot |
| 7BE7 | Download | Experimental | e7be7A2 | cradle loop barrel | LigPlot |
| 7LFE | Download | Experimental | e7lfeA1 e7lfeB2 | cradle loop barrel cradle loop barrel | LigPlot |
| 7KVL | Download | Experimental | e7kvlA1 e7kvlA2 e7kvlB2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7B2J | Download | Experimental | e7b2jA1 | cradle loop barrel | LigPlot |
| 8DRU | Download | Experimental | e8druA1 e8druA2 e8druB2 e8druC1 e8druF2 e8druC2 e8druD2 e8druG1 e8druG2 e8druB1 e8druB2 e8druE1 e8druG1 e8druF2 e8druG2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel | LigPlot |
| 7AY7 | Download | Experimental | e7ay7A1 e7ay7A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 6YB7 | Download | Experimental | e6yb7A1 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7R2V | Download | Experimental | e7r2vA1 e7r2vA1 e7r2vB1 | Rossmann-like Rossmann-like Rossmann-like | LigPlot |
| 8DS1 | Download | Experimental | e8ds1A1 e8ds1A2 e8ds1B2 e8ds1E1 e8ds1E2 e8ds1F1 e8ds1F2 e8ds1G2 e8ds1H1 e8ds1I1 e8ds1I2 e8ds1J1 e8ds1J2 e8ds1K2 e8ds1L1 e8ds1L2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 6W01 | Download | Experimental | e6w01A1 e6w01A2 e6w01B1 e6w01B2 | Rossmann-like RNase A-like RNase A-like Rossmann-like | LigPlot |
| 6YVF | Download | Experimental | e6yvfA1 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 6WTT | Download | Experimental | e6wttA1 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8DRY | Download | Experimental | e8dryB1 e8dryE2 | cradle loop barrel cradle loop barrel | LigPlot |
| 8DRW | Download | Experimental | e8drwA1 e8drwA2 e8drwA1 e8drwA2 e8drwB1 e8drwB2 e8drwC1 e8drwC2 e8drwD1 e8drwC1 e8drwC2 e8drwD1 e8drwD2 e8drwE1 e8drwE2 e8drwF1 e8drwF2 e8drwA2 e8drwB2 e8drwF2 e8drwG1 e8drwH1 e8drwH1 e8drwH2 e8drwJ1 e8drwK2 e8drwL1 e8drwM1 e8drwM1 e8drwN1 e8drwN2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 7LDX | Download | Experimental | e7ldxA1 e7ldxA2 e7ldxB1 e7ldxB2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 8DRZ | Download | Experimental | e8drzA1 e8drzC1 e8drzC2 e8drzD2 e8drzF1 e8drzF2 e8drzG1 e8drzG2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7SFB | Download | Experimental | e7sfbA1 e7sfbA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7KFI | Download | Experimental | e7kfiA1 e7kfiB1 | cradle loop barrel cradle loop barrel | LigPlot |
| 7LFP | Download | Experimental | e7lfpA2 e7lfpB1 | cradle loop barrel cradle loop barrel | LigPlot |