PDB ligand accession: CT8
DrugBank: DB04669
PubChem:
ChEMBL: n/a
InChI Key: YWBFPKPWMSWWEA-UHFFFAOYSA-O
SMILES: BrC1=CC=CC(=C1)C1=NC2=[N+](NC=N2)C(NCC2=CC=NC=C2)=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 33 | Acetylation | PyMOL_RFAA | ||
| LYS | 9 | Acetylation | PyMOL_RFAA | ||
| LYS | 20 | Acetylation | PyMOL_RFAA | ||
| THR | 14 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 15 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 19 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 158 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 159 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 160 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 9 | Ubiquitination | |||
| LYS | 20 | Ubiquitination | |||
| LYS | 33 | Ubiquitination | |||
| LYS | 129 | Ubiquitination | |||
| LYS | 142 | Ubiquitination |