Attributes
UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QOLVOMOIQPMUFC-NRFANRHFSA-N
SMILES
c1ccc2c(c1)cncc2N3C(=O)CC4(C3=O)CCOc5c4cc(cc5)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7GJC
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse7gjcA1e7gjcA2e7gjcB1e7gjcB2
ECOD domains from experimental PDB structures interacting with ligand QM3
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0DTD1 | n/a | QM3 | 7gjc | e7gjcA1 | A:187-300 |
| P0DTD1 | n/a | QM3 | 7gjc | e7gjcA2 | A:1-186 |
| P0DTD1 | n/a | QM3 | 7gjc | e7gjcB1 | B:1-186 |
| P0DTD1 | n/a | QM3 | 7gjc | e7gjcB2 | B:187-305 |
| P0DTD1 | n/a | QM3 | 7gl9 | e7gl9A1 | A:1-186 |
| P0DTD1 | n/a | QM3 | 7gl9 | e7gl9A2 | A:187-302 |
| P0DTD1 | n/a | QM3 | 7gl9 | e7gl9B1 | B:187-305 |
| P0DTD1 | n/a | QM3 | 7gl9 | e7gl9B2 | B:1-186 |