Ligand name: {4-[(2s,4e)-2-(1,3-Benzothiazol-2-Yl)-2-(1h-1,2,3-Benzotriazol-1-Yl)-5-Phenylpent-4-Enyl]Phenyl}(Difluoro)Methylphosphonic Acid
PDB ligand accession: P90
DrugBank: DB04285
PubChem: 448025
ChEMBL: n/a
InChI Key: GBLDYRVJENYQNH-AGLOJYHOSA-N
SMILES: [H]\C(C[C@](CC1=CC=C(C=C1)C(F)(F)P(O)(O)=O)(N1N=NC2=CC=CC=C12)C1=NC2=CC=CC=C2S1)=C(\[H])C1=CC=CC=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
SER	15	Phosphorylation		PyMOL_RFAA
TYR	20	Phosphorylation			PyMOL_Chai1
LYS	120	Acetylation		PyMOL_RFAA
CYS	215	Glutathionylation		PyMOL_RFAA
LYS	120	Malonylation		PyMOL_RFAA
CYS	215	Oxidation		PyMOL_RFAA
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
LYS	116	Acetylation		PyMOL_RFAA
SER	13	Phosphorylation		PyMOL_RFAA