PDB ligand accession: PWV
DrugBank: DB16267
PubChem:
ChEMBL:
InChI Key: NEQYWYXGTJDAKR-JTQLQIEISA-N
SMILES: C[C@H](NC1=CC=C(C#N)N(C)C1=O)C1=CC2=C(NC1=O)C=CC(Cl)=C2
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 126 | Acetylation | PyMOL_RFAA | ||
| CYS | 269 | Glutathionylation | PyMOL_RFAA | ||
| SER | 261 | Phosphorylation | PyMOL_RFAA | ||
| SER | 210 | Phosphorylation | PyMOL_RFAA | ||
| SER | 278 | Phosphorylation | PyMOL_RFAA | ||
| SER | 280 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 285 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 287 | Phosphorylation | PyMOL_RFAA | ||
| THR | 292 | Phosphorylation | PyMOL_RFAA | ||
| SER | 293 | Phosphorylation | PyMOL_RFAA | ||
| CYS | 114 | S-nitrosylation | PyMOL_RFAA | ||
| CYS | 379 | S-nitrosylation | PyMOL_RFAA | ||
| LYS | 126 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
| MET | 254 | Sulfoxidation | PyMOL_RFAA | ||
| MET | 259 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 126 | Ubiquitination |