Attributes
UniProt ID
Protein Name
O-GlcNAcase NagJ
Ligand Name
N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DSEWUBFXIVTHKH-UHFFFAOYSA-N
SMILES
Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7KHV
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 atomse7khvA1e7khvA2e7khvA3e7khvB1e7khvB2e7khvB3e7khvC1e7khvC2e7khvC3e7khvD1e7khvD2e7khvD3e7khvE1e7khvE2e7khvE3e7khvF1e7khvF2e7khvF3
ECOD domains from experimental PDB structures interacting with ligand X1A
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q0TR53 | n/a | X1A | 7khv | e7khvA2 | A:179-495 |
| Q0TR53 | n/a | X1A | 7khv | e7khvA3 | A:496-624 |
| Q0TR53 | n/a | X1A | 7khv | e7khvB1 | B:496-624 |
| Q0TR53 | n/a | X1A | 7khv | e7khvB2 | B:179-495 |
| Q0TR53 | n/a | X1A | 7khv | e7khvC1 | C:496-624 |
| Q0TR53 | n/a | X1A | 7khv | e7khvC3 | C:179-495 |
| Q0TR53 | n/a | X1A | 7khv | e7khvD2 | D:496-624 |
| Q0TR53 | n/a | X1A | 7khv | e7khvD3 | D:179-495 |
| Q0TR53 | n/a | X1A | 7khv | e7khvE1 | E:179-495 |
| Q0TR53 | n/a | X1A | 7khv | e7khvE3 | E:496-624 |
| Q0TR53 | n/a | X1A | 7khv | e7khvF1 | F:179-495 |
| Q0TR53 | n/a | X1A | 7khv | e7khvF3 | F:496-624 |