Attributes
UniProt ID
Protein Name
Gag-Pol polyprotein
Ligand Name
4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IRRZMAXYIYCORM-HWKANZROSA-N
SMILES
Cc1cc(cc(c1Nc2nc(nc(n2)OCCCN3CCOCC3)Nc4ccc(cc4)C#N)C)C=CC#N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7SO1
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 atomse7so1A1e7so1A2e7so1A3e7so1A4e7so1B1e7so1B2e7so1B3
ECOD domains from experimental PDB structures interacting with ligand 9W3
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P03366 | n/a | 9W3 | 7so1 | e7so1A2 | A:317-428 |
| P03366 | n/a | 9W3 | 7so1 | e7so1A4 | A:-1-239 |
| P03366 | n/a | 9W3 | 7so1 | e7so1B3 | B:5-230 |
| P03366 | n/a | 9W3 | 7so2 | e7so2A1 | A:317-428 |
| P03366 | n/a | 9W3 | 7so2 | e7so2A4 | A:-1-239 |
| P03366 | n/a | 9W3 | 7so2 | e7so2B1 | B:5-212,B:232-237 |
| P03366 | n/a | 9W3 | 7so3 | e7so3A2 | A:317-428 |
| P03366 | n/a | 9W3 | 7so3 | e7so3A3 | A:-1-239 |
| P03366 | n/a | 9W3 | 7so3 | e7so3B1 | B:5-212,B:232-237 |