PDB ligand accession: AAY
DrugBank: DB03932
PubChem:
ChEMBL: n/a
InChI Key: WPVRNXUYVXQXPY-YFAYRSKXSA-N
SMILES: [H][C@](C)(CC)C(=O)O[C@@]1([H])C[C@@]([H])(C)C=C2C=C[C@]([H])(C)[C@]([H])(CC[C@@]3([H])C[C@@]([H])(O)CC(=O)N3CC3=CC4=C(C=C3)C(CO)=C(OC)C=C4)[C@@]12[H]
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 189 | Phosphorylation | PyMOL_RFAA | ||
SER | 190 | Phosphorylation | PyMOL_RFAA | ||
TYR | 191 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 304 | Phosphorylation | PyMOL_RFAA | ||
SER | 308 | Phosphorylation | PyMOL_RFAA | ||
LYS | 321 | Ubiquitination |