PDB ligand accession: PYU
DrugBank: DB08443
PubChem:
ChEMBL:
InChI Key: RYGSNHBTZDYVSS-UHFFFAOYSA-N
SMILES: OC1=CC(O)=C(C(=O)N2C=CC=C2)C(O)=C1
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 | ||
TYR | 160 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 50 | Phosphorylation | PyMOL_RFAA | ||
MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 58 | Ubiquitination | |||
LYS | 185 | Ubiquitination |