PDB ligand accession: TYM
DrugBank: DB01831
PubChem: 446202;134820106;
ChEMBL: n/a
InChI Key: IFQVDHDRFCKAAW-SQIXAUHQSA-N
SMILES: N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 200 | Acetylation | PyMOL_RFAA | ||
| LYS | 204 | Acetylation | PyMOL_RFAA | ||
| TYR | 316 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 351 | Phosphorylation | PyMOL_RFAA | ||
| SER | 353 | Phosphorylation | PyMOL_RFAA | ||
| SER | 358 | Phosphorylation | PyMOL_RFAA | ||
| SER | 288 | Phosphorylation | PyMOL_RFAA | ||
| THR | 320 | Phosphorylation | PyMOL_RFAA | ||
| SER | 337 | Phosphorylation | PyMOL_RFAA | ||
| SER | 357 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 204 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
| MET | 350 | Sulfoxidation | PyMOL_RFAA | ||
| MET | 169 | Sulfoxidation | PyMOL_RFAA | ||
| TYR | 214 | Phosphorylation | PyMOL_Chai1 |