PDB ligand accession: P27
DrugBank: DB02651
PubChem:
ChEMBL:
InChI Key: BTAGTGWPDROBMG-UHFFFAOYSA-N
SMILES: OP(O)(=O)C(F)(F)C1=CC=C(CC(CC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)(N2N=NC3=C2C=CC=C3)C2=CC=C(F)C(F)=C2)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 116 | Acetylation | PyMOL_RFAA | ||
LYS | 120 | Acetylation | PyMOL_RFAA | ||
CYS | 215 | Glutathionylation | PyMOL_RFAA | ||
LYS | 120 | Malonylation | PyMOL_RFAA | ||
CYS | 215 | Oxidation | PyMOL_RFAA | ||
TYR | 20 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 46 | Phosphorylation | PyMOL_Chai1 | ||
SER | 50 | Phosphorylation | PyMOL_RFAA | ||
SER | 118 | Phosphorylation | PyMOL_RFAA | ||
SER | 222 | Phosphorylation | PyMOL_RFAA | ||
THR | 224 | Phosphorylation | PyMOL_RFAA | ||
SER | 216 | Phosphorylation | PyMOL_RFAA | ||
THR | 84 | Phosphorylation | PyMOL_RFAA | ||
CYS | 215 | S-nitrosylation | PyMOL_RFAA | ||
CYS | 32 | S-nitrosylation | PyMOL_RFAA | ||
CYS | 215 | Sulfation | PyMOL_RFAA | ||
CYS | 215 | Sulfhydration | |||
MET | 258 | Sulfoxidation | PyMOL_RFAA |