PDB ligand accession: T3
DrugBank: DB00279
PubChem: 5920;7048703;
ChEMBL:
InChI Key: AUYYCJSJGJYCDS-LBPRGKRZSA-N
SMILES: N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)C(O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 248 | Acetylation | PyMOL_RFAA | ||
LYS | 248 | Neddylation | |||
TYR | 211 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 250 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 133 | Phosphorylation | PyMOL_Chai1 | ||
SER | 228 | Phosphorylation | PyMOL_RFAA | ||
SER | 230 | Phosphorylation | PyMOL_RFAA | ||
MET | 229 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 248 | Ubiquitination |