DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VZBHPTCAQDOYJZ-UHFFFAOYSA-N
SMILES
CC(C)CCOc1cc(ccc1C#N)Nc2nc(nc(n2)OCCN3CCOCC3)OC
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 4KKO
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 atomse4kkoA3e4kkoA5e4kkoA6e4kkoA7e4kkoB1e4kkoB2e4kkoB3
ECOD domains from experimental PDB structures interacting with ligand 1RE
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P03366n/a1RE4kkoe4kkoA5A:317-428
P03366n/a1RE4kkoe4kkoA7A:-1-239
P03366n/a1RE4kkoe4kkoB2B:5-234