Attributes
UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YAYDSAMHSQCKIM-OAQYLSRUSA-N
SMILES
c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7GAW
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Color Legend
Unassigned regionsLigand / hetero atomse7gawA1e7gawA2e7gawB1e7gawB2
ECOD domains from experimental PDB structures interacting with ligand KG9
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0DTD1 | n/a | KG9 | 7gaw | e7gawA1 | A:187-305 |
| P0DTD1 | n/a | KG9 | 7gaw | e7gawA2 | A:1-186 |
| P0DTD1 | n/a | KG9 | 7gaw | e7gawB1 | B:1-186 |
| P0DTD1 | n/a | KG9 | 7gaw | e7gawB2 | B:187-305 |
| P0DTD1 | n/a | KG9 | 7gl8 | e7gl8A1 | A:187-306 |
| P0DTD1 | n/a | KG9 | 7gl8 | e7gl8A2 | A:1-186 |
| P0DTD1 | n/a | KG9 | 7gl8 | e7gl8B1 | B:1-186 |
| P0DTD1 | n/a | KG9 | 7gl8 | e7gl8B2 | B:187-305 |