Attributes
UniProt ID
Protein Name
Serine/threonine-protein kinase/endoribonuclease IRE1
Ligand Name
N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WJNBSTLIALIIEW-UHFFFAOYSA-N
SMILES
c1cc2c(cc1Nc3nccc(n3)Nc4cc(n[nH]4)C5CC5)nc[nH]2
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3FBV
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Color Legend
Unassigned regionsLigand / hetero atomse3fbvA1e3fbvA2e3fbvB1e3fbvB2e3fbvC1e3fbvC2e3fbvD1e3fbvD2e3fbvE1e3fbvE2e3fbvF1e3fbvF2e3fbvG1e3fbvG2e3fbvH1e3fbvH2e3fbvI1e3fbvI2e3fbvJ1e3fbvJ2e3fbvK1e3fbvK2e3fbvL1e3fbvL2e3fbvM1e3fbvM2e3fbvN1e3fbvN2
ECOD domains from experimental PDB structures interacting with ligand DB07382