DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(1R,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
AFVXFMYQWMALEA-JWWIWJDOSA-N
SMILES
CC(C)CC(C(=O)NC(CC1CC=NC1=O)C(O)S(=O)(=O)O)NC(=O)OC(C)(C)C2CCC(CC2)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 7M00
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 atomse7m00A1e7m00A2e7m00B1e7m00B2
ECOD domains from experimental PDB structures interacting with ligand YKA
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aYKA7m00e7m00A1A:187-300
P0DTD1n/aYKA7m00e7m00A2A:3-186
P0DTD1n/aYKA7m00e7m00B1B:3-186
P0DTD1n/aYKA7m00e7m00B2B:187-300