PDB ligand accession: CAN
DrugBank: DB02821
PubChem: 441443;25246035;
ChEMBL:
InChI Key: FQPGMQABJNQLLF-VKHMYHEASA-N
SMILES: NOCC[C@H](N)C(O)=O
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 405 | Acetylation | PyMOL_RFAA | ||
| TYR | 55 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 85 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 192 | Phosphorylation | PyMOL_RFAA | ||
| SER | 193 | Phosphorylation | PyMOL_RFAA | ||
| SER | 83 | Phosphorylation | PyMOL_RFAA | ||
| SER | 84 | Phosphorylation | PyMOL_RFAA | ||
| SER | 86 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 405 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
| THR | 111 | Phosphorylation | PyMOL_RFAA | ||
| SER | 112 | Phosphorylation | PyMOL_RFAA | ||
| THR | 148 | Phosphorylation | PyMOL_RFAA | ||
| MET | 139 | Sulfoxidation | PyMOL_RFAA |