PDB ligand accession: B11
DrugBank: DB04632
PubChem:
ChEMBL:
InChI Key: JHHBGNIRSUTQAS-UHFFFAOYSA-N
SMILES: OC1=C(CNC2CCN(CC2)S(=O)(=O)NC2=CC(OC3=CC=C(F)C=C3)=CC=C2)C=CC=C1
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 | 28 | Phosphorylation | PyMOL_RFAA | ||
SER | 32 | Phosphorylation | PyMOL_RFAA | ||
THR | 185 | Phosphorylation | PyMOL_RFAA | ||
TYR | 24 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
SER | 37 | Phosphorylation | PyMOL_RFAA | ||
LYS | 152 | Ubiquitination |