DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MMRWQEDBDJLRBA-HXUWFJFHSA-N
SMILES
CC(C)NC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 7GN2
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 atomse7gn2A1e7gn2A2e7gn2B1e7gn2B2
ECOD domains from experimental PDB structures interacting with ligand RS6
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aRS67gn2e7gn2A1A:1-186
P0DTD1n/aRS67gn2e7gn2A2A:187-305
P0DTD1n/aRS67gn2e7gn2B1B:1-186
P0DTD1n/aRS67gn2e7gn2B2B:187-305