Attributes
UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CEQRNFLEHMXIOS-UHFFFAOYSA-N
SMILES
CSc1ccc(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: 8CYZ
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Color Legend
Unassigned regionsLigand / hetero atomse8cyzA1e8cyzA2e8cyzB1e8cyzB2e8cyzC1e8cyzC2e8cyzD1e8cyzD2
ECOD domains from experimental PDB structures interacting with ligand P6I
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0DTD1 | n/a | P6I | 8cyz | e8cyzA1 | A:1-186 |
| P0DTD1 | n/a | P6I | 8cyz | e8cyzA2 | A:187-305 |
| P0DTD1 | n/a | P6I | 8cyz | e8cyzB1 | B:1-186 |
| P0DTD1 | n/a | P6I | 8cyz | e8cyzB2 | B:187-305 |
| P0DTD1 | n/a | P6I | 8cyz | e8cyzC1 | C:187-305 |
| P0DTD1 | n/a | P6I | 8cyz | e8cyzC2 | C:1-186 |
| P0DTD1 | n/a | P6I | 8cyz | e8cyzD1 | D:1-186 |
| P0DTD1 | n/a | P6I | 8cyz | e8cyzD2 | D:187-305 |