DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1a
Ligand Name
(2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QFILEVBXLNLABP-FQEVSTJZSA-N
SMILES
c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3C(=O)NCCC(F)(F)F)c4ccc(c(c4)Cl)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 8GTW
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 atomse8gtwA1e8gtwA2e8gtwB1e8gtwB2
ECOD domains from experimental PDB structures interacting with ligand K9U
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTC1n/aK9U8gtwe8gtwA1A:187-306
P0DTC1n/aK9U8gtwe8gtwA2A:1-186
P0DTC1n/aK9U8gtwe8gtwB1B:187-302
P0DTC1n/aK9U8gtwe8gtwB2B:1-186