PDB ligand accession: ZZL
DrugBank: DB13061
PubChem:
ChEMBL:
InChI Key: HHFBDROWDBDFBR-UHFFFAOYSA-N
SMILES: OC(=O)C1=CC=C(NC2=NC=C3CN=C(C4=C(C=CC(Cl)=C4)C3=N2)C2=C(F)C=CC=C2F)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 143 | Acetylation | PyMOL_RFAA | ||
| LYS | 258 | Acetylation | PyMOL_RFAA | ||
| TYR | 148 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 197 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 212 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 266 | Phosphorylation | PyMOL_RFAA | ||
| SER | 278 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 258 | Sumoylation | |||
| LYS | 143 | Ubiquitination | |||
| LYS | 141 | Ubiquitination | |||
| LYS | 258 | Ubiquitination |