PDB ligand accession: ASD
DrugBank: DB01536
PubChem:
ChEMBL:
InChI Key: AEMFNILZOJDQLW-QAGGRKNESA-N
SMILES: [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 24 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 55 | Phosphorylation | PyMOL_Chai1 | ||
SER | 118 | Phosphorylation | PyMOL_RFAA | ||
SER | 129 | Phosphorylation | PyMOL_RFAA | ||
SER | 166 | Phosphorylation | PyMOL_RFAA | ||
SER | 221 | Phosphorylation | PyMOL_RFAA | ||
TYR | 305 | Phosphorylation | PyMOL_Chai1 | ||
SER | 310 | Phosphorylation | PyMOL_RFAA | ||
TYR | 319 | Phosphorylation | PyMOL_Chai1 | ||
SER | 320 | Phosphorylation | PyMOL_RFAA | ||
SER | 121 | Phosphorylation | PyMOL_RFAA | ||
THR | 131 | Phosphorylation | PyMOL_RFAA | ||
SER | 217 | Phosphorylation | PyMOL_RFAA | ||
SER | 308 | Phosphorylation | PyMOL_RFAA | ||
SER | 313 | Phosphorylation | PyMOL_RFAA | ||
TYR | 317 | Phosphorylation | PyMOL_Chai1 |