DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
HSKHDUVNVQYLID-GRIKLCOCSA-N
SMILES
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(c2cccc(c2)Cl)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 8E6A
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 atomse8e6aA1e8e6aA2e8e6aB1e8e6aB2
ECOD domains from experimental PDB structures interacting with ligand WIX
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aWIX8e6ae8e6aA1A:187-300
P0DTD1n/aWIX8e6ae8e6aA2A:3-186
P0DTD1n/aWIX8e6ae8e6aB1B:3-186
P0DTD1n/aWIX8e6ae8e6aB2B:187-300