PDB ligand accession: ZST
DrugBank: DB08772
PubChem:
ChEMBL:
InChI Key: BCSVCWVQNOXFGL-UHFFFAOYSA-N
SMILES: OC(=O)CC1=NN(CC2=NC3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C2=C1C=CC=C2
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 125 | Acetylation | PyMOL_RFAA | ||
| THR | 20 | Phosphorylation | PyMOL_RFAA | ||
| SER | 23 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 47 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 49 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 215 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 310 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 163 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 78 | Ubiquitination | |||
| LYS | 125 | Ubiquitination | |||
| LYS | 117 | Ubiquitination | |||
| LYS | 22 | Ubiquitination |