PDB ligand accession: CIO
DrugBank: DB03849
PubChem: n/a
ChEMBL:
InChI Key: CFBUZOUXXHZCFB-OYOVHJISSA-N
SMILES: COC1=C(OC2CCCC2)C=C(C=C1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 521 | Acetylation | PyMOL_RFAA | ||
SER | 601 | Phosphorylation | PyMOL_RFAA | ||
SER | 610 | Phosphorylation | PyMOL_RFAA | ||
TYR | 652 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |