PDB ligand accession: OI4
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: KJMNRTLNVIILOB-GFCCVEGCSA-N
SMILES: Cc1ccncc1NC(=O)C2CCOc3c2cc(cc3)Cl
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 |
---|---|---|---|---|---|
7GFQ | Download | Experimental | e7gfqA1 e7gfqA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
7GIY | Download | Experimental | e7giyA1 e7giyA2 e7giyB1 e7giyB2 | 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 |