PDB ligand accession: DGB
DrugBank: DB12731
PubChem:
ChEMBL:
InChI Key: KPBNHDGDUADAGP-VAWYXSNFSA-N
SMILES: O=C(NCCCCC1CCN(CC1)C(=O)C1=CC=CC=C1)\C=C\C1=CC=CN=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| ARG | 196 | Methylation | PyMOL_RFAA PyMOL_RFAA PyMOL_RFAA | ||
| TYR | 188 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 303 | Phosphorylation | PyMOL_RFAA | ||
| SER | 374 | Phosphorylation | PyMOL_RFAA | ||
| SER | 241 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 195 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 218 | Phosphorylation | PyMOL_RFAA | ||
| THR | 220 | Phosphorylation | PyMOL_RFAA | ||
| THR | 304 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 189 | Ubiquitination | |||
| LYS | 415 | Acetylation | PyMOL_RFAA | ||
| SER | 180 | Phosphorylation | PyMOL_RFAA |