Ligand name: 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide
PDB ligand accession: 7XB
DrugBank: n/a
PubChem: 162533922
ChEMBL: CHEMBL5200025
InChI Key: JHDIUUFGPILEJO-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1NC2=NC(=O)N(C(=O)N2Cc3cc(c(c(c3)F)F)F)CC(=O)NC)OC(F)F
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P0DTC1

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
7VTH Download Experimental e7vthA1
e7vthA2
e7vthB1
e7vthA1
e7vthB1
e7vthB2
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