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 |