Attributes
UniProt ID
Protein Name
Probable nitronate monooxygenase
Ligand Name
N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KRKFVNMZGZWPHC-UHFFFAOYSA-N
SMILES
CS(=O)(=O)c1ccc2c(c1)sc(n2)NC(=O)Cc3csc(n3)n4cccc4
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7L00
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 atomse7l00A1e7l00B1e7l00C1e7l00D1
ECOD domains from experimental PDB structures interacting with ligand XCJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A031WIF2 | n/a | XCJ | 7l00 | e7l00A1 | A:0-309 |
| A0A031WIF2 | n/a | XCJ | 7l00 | e7l00B1 | B:-1-309 |
| A0A031WIF2 | n/a | XCJ | 7l00 | e7l00C1 | C:-5-309 |
| A0A031WIF2 | n/a | XCJ | 7l00 | e7l00D1 | D:-5-309 |