PDB ligand accession: 2D7
DrugBank: DB06956
PubChem:
ChEMBL:
InChI Key: BTTFXKUTBNGQTP-UHFFFAOYSA-N
SMILES: CC(=O)C1=CC=C(NC(=O)C2=C(NN=C2)C2=CC(Cl)=C(O)C=C2O)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 58 | Acetylation | PyMOL_RFAA | ||
LYS | 100 | 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 | ||
THR | 109 | Phosphorylation | PyMOL_RFAA | ||
SER | 113 | Phosphorylation | PyMOL_RFAA | ||
THR | 115 | Phosphorylation | PyMOL_RFAA | ||
SER | 50 | Phosphorylation | PyMOL_RFAA | ||
LYS | 100 | Succinylation | PyMOL_RFAA PyMOL_RFAA | ||
MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 58 | Ubiquitination | |||
LYS | 112 | Ubiquitination | |||
LYS | 185 | Ubiquitination |