PDB ligand accession: LS2
DrugBank: DB08123
PubChem:
ChEMBL:
InChI Key: GEWPSTLKJDIUHW-UHFFFAOYSA-N
SMILES: CNS(=O)(=O)CC1=CC=C(N\N=C2/C(=O)NC3=C2C2=C(C=C3)N=CS2)C=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 | |||
| LYS | 20 | Acetylation | PyMOL_RFAA | ||
| THR | 14 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 15 | Phosphorylation | |||
| TYR | 19 | Phosphorylation | |||
| LYS | 9 | Ubiquitination | |||
| LYS | 20 | Ubiquitination | |||
| LYS | 33 | Ubiquitination | |||
| LYS | 129 | Ubiquitination | |||
| LYS | 142 | Ubiquitination |