PDB ligand accession: IMN
DrugBank: DB00328
PubChem:
ChEMBL:
InChI Key: CGIGDMFJXJATDK-UHFFFAOYSA-N
SMILES: COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 270 | Acetylation | PyMOL_RFAA | ||
| TYR | 24 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 51 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 55 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 118 | Phosphorylation | PyMOL_RFAA | ||
| SER | 129 | Phosphorylation | PyMOL_RFAA | ||
| SER | 166 | Phosphorylation | PyMOL_RFAA | ||
| SER | 221 | Phosphorylation | PyMOL_RFAA | ||
| SER | 232 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 305 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 310 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 319 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 121 | Phosphorylation | PyMOL_RFAA | ||
| SER | 217 | Phosphorylation | PyMOL_RFAA | ||
| THR | 23 | Phosphorylation | PyMOL_RFAA | ||
| SER | 308 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 317 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 83 | Phosphorylation | PyMOL_RFAA | ||
| SER | 320 | Phosphorylation | PyMOL_RFAA | ||
| SER | 313 | Phosphorylation | PyMOL_RFAA |