PDB ligand accession: MOF
DrugBank: DB14512
PubChem:
ChEMBL:
InChI Key: WOFMFGQZHJDGCX-ZULDAHANSA-N
SMILES: [H][C@@]12C[C@@H](C)[C@](OC(=O)C3=CC=CO3)(C(=O)CCl)[C@@]1(C)C[C@H](O)[C@@]1(Cl)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 635 | Phosphorylation | PyMOL_RFAA | ||
TYR | 640 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |