PDB ligand accession: FSC
DrugBank: DB01780
PubChem:
ChEMBL:
InChI Key: KXTYBXCEQOANSX-WYKQKOHHSA-N
SMILES: [H]\C1=C2/[C@@]([H])(COC)CC[C@@]2([H])[C@@]([H])(C)[C@@]([H])(O)[C@]([H])(O[C@@]2([H])O[C@]([H])(COC(C)(C)C=C)[C@@]([H])(O)[C@]([H])(OC(C)=O)[C@@]2([H])O)C2=C(C[C@]([H])(O)[C@]12C)[C@]([H])(C)COC(C)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 12 | Acetylation | PyMOL_RFAA | ||
LYS | 50 | Acetylation | PyMOL_RFAA | ||
LYS | 118 | Acetylation | PyMOL_RFAA | ||
LYS | 123 | Acetylation | PyMOL_RFAA | ||
LYS | 215 | Methylation | PyMOL_RFAA PyMOL_RFAA | ||
THR | 38 | Phosphorylation | PyMOL_RFAA | ||
SER | 46 | Phosphorylation | PyMOL_RFAA | ||
TYR | 49 | Phosphorylation | PyMOL_Chai1 | ||
SER | 117 | Phosphorylation | PyMOL_RFAA | ||
TYR | 122 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 131 | Phosphorylation | PyMOL_Chai1 | ||
SER | 210 | Phosphorylation | PyMOL_RFAA | ||
SER | 213 | Phosphorylation | PyMOL_RFAA | ||
TYR | 214 | Phosphorylation | PyMOL_Chai1 | ||
SER | 217 | Phosphorylation | PyMOL_RFAA | ||
THR | 218 | Phosphorylation | PyMOL_RFAA | ||
LYS | 50 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
LYS | 118 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
LYS | 123 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
MET | 221 | Sulfoxidation | PyMOL_RFAA | ||
MET | 23 | Sulfoxidation | PyMOL_RFAA | ||
MET | 27 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 50 | Sumoylation | |||
LYS | 12 | Ubiquitination | |||
LYS | 50 | Ubiquitination | |||
LYS | 118 | Ubiquitination | |||
LYS | 123 | Ubiquitination | |||
LYS | 125 | Ubiquitination | |||
THR | 114 | Phosphorylation | PyMOL_RFAA | ||
THR | 208 | Phosphorylation | PyMOL_RFAA | ||
MET | 160 | Sulfoxidation | PyMOL_RFAA |