PDB ligand accession: 4BH
DrugBank: DB07100
PubChem:
ChEMBL:
InChI Key: RFPHEBUOQYYPDO-UHFFFAOYSA-N
SMILES: OC1=CC(O)=C(Cl)C=C1C1=C(C=NN1)N1CCNCC1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| LYS | 58 | Acetylation | PyMOL_RFAA | ||
| SER | 52 | Phosphorylation | PyMOL_RFAA | ||
| SER | 53 | Phosphorylation | PyMOL_RFAA | ||
| THR | 90 | Phosphorylation | PyMOL_RFAA | ||
| THR | 94 | Phosphorylation | PyMOL_RFAA | ||
| THR | 99 | Phosphorylation | PyMOL_RFAA | ||
| THR | 109 | Phosphorylation | PyMOL_RFAA | ||
| SER | 50 | Phosphorylation | PyMOL_RFAA | ||
| MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
| LYS | 58 | Ubiquitination | |||
| LYS | 185 | Ubiquitination |