Ligand name: {[2-(1h-1,2,3-Benzotriazol-1-Yl)-2-(3,4-Difluorophenyl)Propane-1,3-Diyl]Bis[4,1-Phenylene(Difluoromethylene)]}Bis(Phosphonic Acid)
PDB ligand accession: P27
DrugBank: DB02651
PubChem: 448024
ChEMBL: CHEMBL267048
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

List of small molecule binding-associated PTMs for P18031

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