PDB ligand accession: Q3U
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: NNDMILIBNSMJII-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)NC(=O)Nc2cc(cnc2)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: N-phenylureas
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GH8 | Download | Experimental | e7gh8A1 e7gh8A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |