DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CDOWQSLSBXGJJG-UPCLLVRISA-N
SMILES
CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCN(C4)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 7GJY
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 atomse7gjyA1e7gjyA2e7gjyB1e7gjyB2
ECOD domains from experimental PDB structures interacting with ligand QRS
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aQRS7gjye7gjyA1A:187-302
P0DTD1n/aQRS7gjye7gjyA2A:1-186
P0DTD1n/aQRS7gjye7gjyB1B:1-186