PDB ligand accession: IRE
DrugBank: DB00317
PubChem:
ChEMBL:
InChI Key: XGALLCVXEZPNRQ-UHFFFAOYSA-N
SMILES: COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 852 | Malonylation | |||
| SER | 720 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 725 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 727 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 764 | Phosphorylation | PyMOL_Chai1 | ||
| CYS | 797 | S-palmitoylation | PyMOL_Chai1 | ||
| MET | 766 | Sulfoxidation | PyMOL_Chai1 | ||
| LYS | 716 | Ubiquitination | |||
| LYS | 728 | Ubiquitination | |||
| LYS | 846 | Ubiquitination | |||
| LYS | 913 | Ubiquitination |