PDB ligand accession: B77
DrugBank: DB07427
PubChem:
ChEMBL: n/a
InChI Key: AVXQTLSOXWQOHO-UHFFFAOYSA-N
SMILES: COC1=C(OCC2=NC=CC=C2)C=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 | ||
| SER | 134 | O-linked_glycosylation | |||
| SER | 103 | Phosphorylation | PyMOL_RFAA | ||
| SER | 125 | Phosphorylation | PyMOL_RFAA | ||
| 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 | ||
| CYS | 105 | S-nitrosylation | PyMOL_RFAA | ||
| TYR | 36 | Phosphorylation | |||
| THR | 39 | Phosphorylation | |||
| CYS | 113 | S-nitrosylation |