PDB ligand accession: CT5
DrugBank: DB07594
PubChem:
ChEMBL:
InChI Key: OWPMENVYXDJDOW-UHFFFAOYSA-N
SMILES: CCC1=C(O)C=C(O)C(=C1)C1=C(C(C)=NN1)C1=CC2=C(OCCO2)C=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 | ||
| THR | 109 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 216 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
| SER | 50 | Phosphorylation | PyMOL_RFAA | ||
| MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 58 | Ubiquitination | |||
| LYS | 185 | Ubiquitination | |||
| LYS | 112 | Acetylation | PyMOL_RFAA | ||
| SER | 113 | Phosphorylation | PyMOL_RFAA | ||
| THR | 115 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 112 | Ubiquitination |