PDB ligand accession: XA8
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: CEVFDXICNWCNKE-NLNBCDFGSA-N
SMILES: CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CN3CCCCC3=O)C(C(=O)N4CCC4)O)C
Drug action: n/a
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
8F2D | Download | Experimental | e8f2dA1 e8f2dA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |