Attributes
UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VADPVOZBGIXSAG-UHFFFAOYSA-N
SMILES
CN(C)c1ccc(cc1)N(Cc2cc(cs2)Cl)C(=O)Cc3cncc4c3cccc4
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 8CYU
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Color Legend
Unassigned regionsLigand / hetero atomse8cyuA1e8cyuA2e8cyuB1e8cyuB2e8cyuC1e8cyuC2e8cyuD1e8cyuD2
ECOD domains from experimental PDB structures interacting with ligand P5X
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0DTD1 | n/a | P5X | 8cyu | e8cyuA1 | A:1-186 |
| P0DTD1 | n/a | P5X | 8cyu | e8cyuA2 | A:187-305 |
| P0DTD1 | n/a | P5X | 8cyu | e8cyuB1 | B:1-186 |
| P0DTD1 | n/a | P5X | 8cyu | e8cyuB2 | B:187-306 |
| P0DTD1 | n/a | P5X | 8cyu | e8cyuC1 | C:1-186 |
| P0DTD1 | n/a | P5X | 8cyu | e8cyuC2 | C:187-305 |
| P0DTD1 | n/a | P5X | 8cyu | e8cyuD1 | D:187-306 |
| P0DTD1 | n/a | P5X | 8cyu | e8cyuD2 | D:1-186 |