PDB ligand accession: B78
DrugBank: DB07428
PubChem:
ChEMBL: n/a
InChI Key: MBHBRRBLXCXQKV-UHFFFAOYSA-N
SMILES: COC1=CC(OCC2=CC=NC=C2)=C(C)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 100 | Acetylation | PyMOL_RFAA | ||
| LYS | 140 | Acetylation | PyMOL_RFAA | ||
| SER | 134 | O-linked_glycosylation | |||
| SER | 132 | Phosphorylation | PyMOL_RFAA | ||
| THR | 135 | Phosphorylation | PyMOL_RFAA | ||
| THR | 138 | Phosphorylation | PyMOL_RFAA | ||
| SER | 139 | Phosphorylation | PyMOL_RFAA | ||
| SER | 134 | Phosphorylation | PyMOL_RFAA | ||
| MET | 77 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 8 | Acetylation | PyMOL_RFAA | ||
| LYS | 8 | N-linked_glycosylation | |||
| SER | 4 | O-linked_glycosylation | |||
| SER | 4 | Phosphorylation | PyMOL_RFAA | ||
| SER | 103 | Phosphorylation | PyMOL_RFAA | ||
| SER | 125 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 36 | Phosphorylation |