Attributes
UniProt ID
Protein Name
Serine/threonine-protein kinase/endoribonuclease IRE1
Ligand Name
ADENOSINE-5'-DIPHOSPHATE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 3P23
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Color Legend
Unassigned regionsLigand / hetero atomse3p23A1e3p23A2e3p23B1e3p23B2e3p23C1e3p23C2e3p23D1e3p23D2
ECOD domains from experimental PDB structures interacting with ligand DB16833
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| O75460 | DB16833 | ADP | 3p23 | e3p23A1 | A:563-832 |
| O75460 | DB16833 | ADP | 3p23 | e3p23B1 | B:564-832 |
| O75460 | DB16833 | ADP | 3p23 | e3p23C1 | C:561-832 |
| O75460 | DB16833 | ADP | 3p23 | e3p23D1 | D:561-832 |
| O75460 | DB16833 | ADP | 4yzd | e4yzdA1 | A:563-832 |
| O75460 | DB16833 | ADP | 4yzd | e4yzdB2 | B:563-832 |
| O75460 | DB16833 | ADP | 4yzd | e4yzdC2 | C:563-832 |