PDB ligand accession: BPM
DrugBank: DB07480
PubChem:
ChEMBL: n/a
InChI Key: LGSCVLKUKMBYNC-UHFFFAOYSA-N
SMILES: OP(O)(=O)OC1=CC=C(CC2=CC=C(OP(O)(O)=O)C=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 | ||
TYR | 20 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 46 | Phosphorylation | PyMOL_Chai1 | ||
SER | 50 | Phosphorylation | PyMOL_RFAA | ||
CYS | 32 | S-nitrosylation | PyMOL_RFAA | ||
MET | 258 | Sulfoxidation | PyMOL_RFAA |