PDB ligand accession: KU6
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MMSFMHOFPDOWCH-LLVKDONJSA-N
SMILES: c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3nncn3C4CC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrans
- Subclass: 1-benzopyrans
- Class: Benzopyrans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GD8 | Download | Experimental | e7gd8A1 e7gd8A2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |
7GBE | Download | Experimental | e7gbeA1 e7gbeA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |