Attributes
UniProt ID
Protein Name
ORF1a polyprotein
Ligand Name
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BSPZFJDYQHDZNR-HTCLRFROSA-N
SMILES
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCc2ccccc2
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7XJW
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Color Legend
Unassigned regionsLigand / hetero atomse7xjwA1e7xjwA2e7xjwB1e7xjwB2e7xjwC1e7xjwC2e7xjwD1e7xjwD2e7xjwE1e7xjwE2e7xjwF1e7xjwF2e7xjwG1e7xjwG2e7xjwH1e7xjwH2
ECOD domains from experimental PDB structures interacting with ligand K36
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| D2WXL6 | n/a | K36 | 7xjw | e7xjwA1 | A:1-185 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwA2 | A:186-299 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwB1 | B:186-299 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwB2 | B:1-185 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwC1 | C:1-185 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwC2 | C:186-298 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwD1 | D:186-299 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwD2 | D:1-185 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwE1 | E:186-299 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwE2 | E:1-185 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwF1 | F:186-299 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwF2 | F:1-185 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwG1 | G:1-185 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwG2 | G:186-298 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwH1 | H:186-299 |
| D2WXL6 | n/a | K36 | 7xjw | e7xjwH2 | H:1-185 |