PDB ligand accession: PY9
DrugBank: DB08442
PubChem:
ChEMBL:
InChI Key: TWODFUZHWYZBHZ-MRXNPFEDSA-N
SMILES: [H][C@@]1(CCCN1C(=O)C1=C(O)C=C(O)C=C1)C1=CC=CC=C1C
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 58 | Acetylation | PyMOL_RFAA | ||
LYS | 112 | Acetylation | PyMOL_RFAA | ||
SER | 52 | Phosphorylation | PyMOL_RFAA | ||
SER | 53 | Phosphorylation | PyMOL_RFAA | ||
THR | 90 | Phosphorylation | PyMOL_RFAA | ||
THR | 94 | Phosphorylation | PyMOL_RFAA | ||
THR | 99 | Phosphorylation | PyMOL_RFAA | ||
TYR | 160 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 50 | Phosphorylation | PyMOL_RFAA | ||
MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 58 | Ubiquitination | |||
LYS | 112 | Ubiquitination | |||
LYS | 185 | Ubiquitination | |||
THR | 109 | Phosphorylation | PyMOL_RFAA |