Attributes
UniProt ID
Protein Name
Serine/threonine-protein kinase/endoribonuclease IRE1
Ligand Name
2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LVBYPSVRFGNRPW-KRWDZBQOSA-N
SMILES
c1ccc2c(c1)c(ccc2Oc3c(cccn3)c4ccnc(n4)NC5CCCNC5)NS(=O)(=O)CC(F)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 7BMK
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 atomse7bmkA1e7bmkA2e7bmkB1e7bmkB2