Ligand name: (3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
PDB ligand accession: OWC
DrugBank: n/a
PubChem: 169408241
ChEMBL: n/a
InChI Key: WATOKUBUEBNRTN-SFHVURJKSA-N
SMILES: c1ccc2c(c1)cncc2N3CCCC(C3=O)c4cccc(c4)Cl
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P0DTD1

PDB/AF Accession PyMOL script Experimental / Predicted Interacting ECOD domains ECOD X-group name LigPlot
7GHT Download Experimental e7ghtA1
e7ghtA2
e7ghtB1
e7ghtA2
e7ghtB1
e7ghtB2
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
cradle loop barrel
cradle loop barrel
cradle loop barrel
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
LigPlot
7GGH Download Experimental e7gghA1
e7gghA2
cradle loop barrel
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
LigPlot