PDB ligand accession: P4R
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: FSSOHAWMSBZQQQ-FQEVSTJZSA-N
SMILES: c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)NC3=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azolidines
- Subclass: Imidazolidines
- Class: Azolidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GIX | Download | Experimental | e7gixA1 e7gixA2 e7gixB1 e7gixA1 e7gixB1 e7gixB2 | 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 | LigPlot |
7GGP | Download | Experimental | e7ggpA1 e7ggpA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
7GHU | Download | Experimental | e7ghuA1 e7ghuA2 e7ghuB2 e7ghuA2 e7ghuB1 e7ghuB2 | 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 |