PDB ligand accession: VR4
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MPMTWRHFCLPCDF-OJJQZRKESA-N
SMILES: CC(C)CC(C(=O)NC(CC1CCNC1=O)C(C(=O)NCc2ccccc2)O)NC(=O)OCc3ccccc3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Peptidomimetics
- Subclass: Hybrid peptides
- Class: Peptidomimetics
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7K0F | Download | Experimental | e7k0fA1 e7k0fA2 e7k0fB1 e7k0fB2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |