PDB ligand accession: I5S
DrugBank: DB07947
PubChem:
ChEMBL:
InChI Key: AUHWQSZMVMMRLM-UHFFFAOYSA-N
SMILES: ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| THR | 313 | O-linked_glycosylation | |||
| TYR | 177 | Phosphorylation | |||
| TYR | 178 | Phosphorylation | |||
| THR | 313 | Phosphorylation | |||
| TYR | 438 | Phosphorylation | |||
| THR | 444 | Phosphorylation | |||
| LYS | 277 | Ubiquitination | |||
| THR | 7 | Phosphorylation | PyMOL_RFAA | ||
| THR | 8 | Phosphorylation | PyMOL_RFAA | ||
| SER | 9 | Phosphorylation | PyMOL_RFAA |