PDB ligand accession: 626
DrugBank: DB07186
PubChem:
ChEMBL: n/a
InChI Key: TYYNSDQVFIOSFH-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C1=CC=C(C=C1)C(=O)NC1=NNC2=CN(C=C12)C(=O)CC1=CC=CS1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 61 | Acetylation | PyMOL_RFAA | ||
SER | 137 | Phosphorylation | PyMOL_RFAA | ||
LYS | 61 | Ubiquitination | |||
LYS | 66 | Ubiquitination | |||
LYS | 82 | Ubiquitination |