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 |
|---|---|---|---|---|---|
| 7TE0 | Download | Experimental | e7te0A1 e7te0A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 8DZ2 | Download | Experimental | e8dz2A1 e8dz2A2 e8dz2B2 e8dz2A1 e8dz2A2 e8dz2B1 e8dz2B2 | 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 | LigPlot |
| 8DZ9 | Download | Experimental | e8dz9A1 e8dz9A2 e8dz9B2 e8dz9A1 e8dz9A2 e8dz9B1 e8dz9B2 e8dz9C1 e8dz9C2 e8dz9D2 e8dz9C2 e8dz9D1 e8dz9D2 | 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 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 | LigPlot |
| 7RFW | Download | Experimental | e7rfwA1 e7rfwA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8E26 | Download | Experimental | e8e26A1 e8e26A2 e8e26B2 e8e26A1 e8e26A2 e8e26B1 e8e26B2 | 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 | LigPlot |
| 7SI9 | Download | Experimental | e7si9A1 e7si9A2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8DZ6 | Download | Experimental | e8dz6A1 e8dz6A2 e8dz6B2 e8dz6A1 e8dz6A2 e8dz6B1 e8dz6B2 | 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 |
| 8E25 | Download | Experimental | e8e25A1 e8e25A2 e8e25B2 e8e25A1 e8e25A2 e8e25B1 e8e25B2 | 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 |
| 8DCZ | Download | Experimental | e8dczA1 e8dczA2 e8dczB2 e8dczA1 e8dczA2 e8dczB1 e8dczB2 | 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 | LigPlot |
| 7RFS | Download | Experimental | e7rfsA1 e7rfsA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
| 8E1Y | Download | Experimental | e8e1yA1 e8e1yA2 e8e1yB1 e8e1yA1 e8e1yA2 e8e1yB1 e8e1yB2 | 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 |
| 7UUP | Download | Experimental | e7uupA1 e7uupA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
| 8DZA | Download | Experimental | e8dzaA1 e8dzaA2 e8dzaB2 e8dzaA1 e8dzaA2 e8dzaB1 e8dzaB2 | 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 |
| 8EYJ | Download | Experimental | e8eyjA1 e8eyjA2 e8eyjB1 e8eyjB1 e8eyjB2 | 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 | LigPlot |