PDB ligand accession: 4WI
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: WDVIRQQKRMIXGS-XIFHJVQQSA-N
SMILES: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C=N)C
Drug action: n/a
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 8H51 | Download | Experimental | e8h51A1 e8h51A2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7U29 | Download | Experimental | e7u29A1 e7u29A2 e7u29B1 e7u29A1 e7u29A2 e7u29B1 e7u29B2 | 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 | LigPlot |
| 7UJU | Download | Experimental | e7ujuA1 e7ujuB1 | cradle loop barrel cradle loop barrel | LigPlot |
| 7U28 | Download | Experimental | e7u28A1 e7u28A2 e7u28B1 e7u28A1 e7u28A2 e7u28B1 e7u28B2 | 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 | LigPlot |
| 7XB4 | Download | Experimental | e7xb4A1 e7xb4A2 e7xb4B1 e7xb4B2 | 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 |
| 8IGY | Download | Experimental | e8igyA1 e8igyA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 8H5P | Download | Experimental | e8h5pA1 e8h5pA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8H4Y | Download | Experimental | e8h4yA1 e8h4yA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 8H5F | Download | Experimental | e8h5fA1 e8h5fA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7VLQ | Download | Experimental | e7vlqA1 e7vlqA2 e7vlqB1 e7vlqB2 | 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 |
| 8H6N | Download | Experimental | e8h6nA1 e8h6nA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 7TLL | Download | Experimental | e7tllA1 e7tllA2 e7tllB1 e7tllA1 e7tllA2 e7tllB1 e7tllB2 | 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 | LigPlot |
| 8H82 | Download | Experimental | e8h82A1 e8h82A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 7VH8 | Download | Experimental | e7vh8A1 e7vh8A2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 7VLP | Download | Experimental | e7vlpA1 e7vlpA2 e7vlpB1 e7vlpB2 | 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 |
| 8H7W | Download | Experimental | e8h7wA1 e8h7wA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8H57 | Download | Experimental | e8h57A1 e8h57A2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |