PDB ligand accession: M38
DrugBank: DB08159
PubChem:
ChEMBL:
InChI Key: AHIJTWCJGCWHMT-UHFFFAOYSA-N
SMILES: OC(=O)CCCN1C2=C(C(=O)C3=CC=CC=C23)C2=CC=CC=C2C1=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 354 | Acetylation | PyMOL_RFAA | ||
LYS | 436 | Acetylation | PyMOL_RFAA | ||
TYR | 426 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
MET | 428 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 354 | Ubiquitination |