Ligand name: (4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
PDB ligand accession: QMX
DrugBank: n/a
PubChem: 169408278
ChEMBL: n/a
InChI Key: ZITSXTKDCXOESQ-VWLOTQADSA-N
SMILES: Cn1ccc(n1)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5
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
7GJF Download Experimental e7gjfA1
e7gjfA2
e7gjfB2
e7gjfA2
e7gjfB1
e7gjfB2
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
cradle loop barrel
LigPlot