PDB ligand accession: R30
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: TWIVXCFEBRGEKY-UHFFFAOYSA-N
SMILES: CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzotriazoles
- Subclass: None
- Class: Benzotriazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GD4 | Download | Experimental | e7gd4A1 e7gd4A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |