PDB ligand accession: RG9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: OUTGZQNFEUVFAN-UHFFFAOYSA-N
SMILES: CC(C)(c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: None
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GM3 | Download | Experimental | e7gm3A1 e7gm3A2 e7gm3B1 e7gm3A1 e7gm3B1 e7gm3B2 | 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 |