PDB ligand accession: 5VC
DrugBank: DB12556
PubChem: n/a
ChEMBL:
InChI Key: LCVIRAZGMYMNNT-VVONHTQRSA-N
SMILES: OC(=O)[C@@]1(CC2=CC=CC(NC3=NC=CS3)=N2)CC[C@@H](CC1)OC1=C(F)C(Cl)=CC=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 |