PDB ligand accession: PYU
DrugBank: DB08443
PubChem:
ChEMBL:
InChI Key: RYGSNHBTZDYVSS-UHFFFAOYSA-N
SMILES: OC1=CC(O)=C(C(=O)N2C=CC=C2)C(O)=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 58 | Acetylation | PyMOL_RFAA | ||
| SER | 52 | Phosphorylation | PyMOL_RFAA | ||
| SER | 53 | Phosphorylation | PyMOL_RFAA | ||
| THR | 90 | Phosphorylation | PyMOL_RFAA | ||
| THR | 94 | Phosphorylation | PyMOL_RFAA | ||
| THR | 99 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 160 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| SER | 50 | Phosphorylation | PyMOL_RFAA | ||
| MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 58 | Ubiquitination | |||
| LYS | 185 | Ubiquitination |