PDB ligand accession: LI3
DrugBank: DB08092
PubChem:
ChEMBL:
InChI Key: VMLSXFMXUNVCSK-UHFFFAOYSA-N
SMILES: FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=CC2=C1)N1CCOCC1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 53 | Acetylation | PyMOL_RFAA | ||
| LYS | 152 | Acetylation | PyMOL_RFAA | ||
| SER | 32 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 323 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 140 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
| SER | 37 | Phosphorylation | PyMOL_RFAA | ||
| LYS | 139 | Ubiquitination | |||
| LYS | 152 | Ubiquitination |