PDB ligand accession: K36
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BSPZFJDYQHDZNR-HTCLRFROSA-N
SMILES: CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 8D4K | Download | Experimental | e8d4kA1 e8d4kA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 6WTJ | Download | Experimental | e6wtjA1 e6wtjA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8DDM | Download | Experimental | e8ddmA1 e8ddmA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7TGR | Download | Experimental | e7tgrA1 e7tgrA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7UKK | Download | Experimental | e7ukkA1 e7ukkA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8D4M | Download | Experimental | e8d4mA1 e8d4mA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 7D1M | Download | Experimental | e7d1mA1 e7d1mA2 e7d1mB1 e7d1mB2 | 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 | LigPlot |
| 7CBT | Download | Experimental | e7cbtA1 e7cbtA2 e7cbtB1 e7cbtB2 | 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 | LigPlot |
| 7K0E | Download | Experimental | e7k0eA1 e7k0eA2 e7k0eB1 e7k0eB2 | 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 |
| 7C6U | Download | Experimental | e7c6uA1 e7c6uA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 7C8U | Download | Experimental | e7c8uA1 e7c8uA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8E4R | Download | Experimental | e8e4rA1 e8e4rA2 e8e4rB1 e8e4rB2 | 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 | LigPlot |
| 6WTT | Download | Experimental | e6wttA1 e6wttA2 e6wttB1 e6wttB2 e6wttC2 | 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 | LigPlot |
| 7CB7 | Download | Experimental | e7cb7A1 e7cb7A2 e7cb7A1 e7cb7B1 e7cb7B2 | 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 | LigPlot |
| 8DD1 | Download | Experimental | e8dd1A1 e8dd1A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |