PDB ligand accession: C18
DrugBank: DB07513
PubChem:
ChEMBL:
InChI Key: JMGUSOLCNQVZCT-UHFFFAOYSA-N
SMILES: CNCC1=CC(=O)OC2=C1C=CC(OCC1=CC=CC(Cl)=C1)=C2
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| TYR | 188 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 195 | Phosphorylation | PyMOL_RFAA | ||
| THR | 196 | Phosphorylation | PyMOL_RFAA | ||
| SER | 200 | Phosphorylation | PyMOL_RFAA | ||
| THR | 201 | Phosphorylation | PyMOL_RFAA | ||
| SER | 59 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 209 | Ubiquitination | |||
| THR | 202 | Phosphorylation | PyMOL_RFAA |