Ligand name: (4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PDB ligand accession: Q0I
DrugBank: n/a
PubChem: 169452769
ChEMBL: n/a
InChI Key: ODIAOSOAUUATBH-QGZVFWFLSA-N
SMILES: CCC(=O)N(c1cncc2c1cccc2)C(=O)C3CCOc4c3cc(cc4)Cl
Drug action: n/a

ClassyFire chemical classification:

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
7GI3 Download Experimental e7gi3A1
e7gi3A2
e7gi3B1
e7gi3A2
e7gi3B1
e7gi3B2
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
7GH2 Download Experimental e7gh2A1
e7gh2A2
Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain
cradle loop barrel
LigPlot
7GJ7 Download Experimental e7gj7A1
e7gj7A2
e7gj7B1
e7gj7A1
e7gj7B1
e7gj7B2
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