PDB ligand accession: OAI
DrugBank: DB04001
PubChem:
ChEMBL:
InChI Key: AHWMERGBWWROMM-UHFFFAOYSA-N
SMILES: OC(=O)C(=O)NC1=CC2=C(C=CN2)C=C1C(O)=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 116 | Acetylation | PyMOL_RFAA | ||
| LYS | 120 | Acetylation | PyMOL_RFAA | ||
| CYS | 215 | Glutathionylation | PyMOL_RFAA | ||
| LYS | 120 | Malonylation | PyMOL_RFAA | ||
| CYS | 215 | Oxidation | PyMOL_RFAA | ||
| TYR | 20 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 46 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 50 | Phosphorylation | PyMOL_RFAA | ||
| SER | 118 | Phosphorylation | PyMOL_RFAA | ||
| SER | 222 | Phosphorylation | PyMOL_RFAA | ||
| THR | 224 | Phosphorylation | PyMOL_RFAA | ||
| SER | 216 | Phosphorylation | PyMOL_RFAA | ||
| THR | 84 | Phosphorylation | PyMOL_RFAA | ||
| CYS | 215 | S-nitrosylation | PyMOL_RFAA | ||
| CYS | 215 | Sulfation | PyMOL_RFAA | ||
| CYS | 215 | Sulfhydration | |||
| MET | 258 | Sulfoxidation | PyMOL_RFAA |