Attributes
UniProt ID
Protein Name
NS3 protease
Ligand Name
(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DGCPGLRWAMIHKS-GYSPVFRISA-N
SMILES
CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OCC4CC5N4C(=O)NC6(CC6C=CCCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4TYD
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Color Legend
Unassigned regionsLigand / hetero atomse4tydA1e4tydB1e4tydC1e4tydD1e4tydE1e4tydF1e4tydG1e4tydH1e4tydJ1e4tydK1e4tydL1e4tydM1
ECOD domains from experimental PDB structures interacting with ligand 3EO
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydA1 | A:2-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydB1 | B:1-234 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydC1 | C:1-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydD1 | D:2-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydE1 | E:1-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydF1 | F:1-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydG1 | G:1-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydH1 | H:3-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydJ1 | J:1-234 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydK1 | K:1-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydL1 | L:3-232 |
| Q0ZNA6 | n/a | 3EO | 4tyd | e4tydM1 | M:1-232 |