Attributes
UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JTYFNCRZNYLUFK-GOSISDBHSA-N
SMILES
CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cccc4
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 7GLB
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Color Legend
Unassigned regionsLigand / hetero atomse7glbA1e7glbA2e7glbB1e7glbB2
ECOD domains from experimental PDB structures interacting with ligand R76
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P0DTD1 | n/a | R76 | 7glb | e7glbA1 | A:187-305 |
| P0DTD1 | n/a | R76 | 7glb | e7glbA2 | A:1-186 |
| P0DTD1 | n/a | R76 | 7glb | e7glbB1 | B:187-305 |
| P0DTD1 | n/a | R76 | 7glb | e7glbB2 | B:1-186 |
| P0DTD1 | n/a | R76 | 7glv | e7glvA1 | A:187-305 |
| P0DTD1 | n/a | R76 | 7glv | e7glvA2 | A:1-186 |
| P0DTD1 | n/a | R76 | 7glv | e7glvB1 | B:1-186 |
| P0DTD1 | n/a | R76 | 7glv | e7glvB2 | B:187-305 |