Ligand name: 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine
PDB ligand accession: 4PG
DrugBank: DB07122
PubChem: 16758228
ChEMBL: n/a
InChI Key: MERNPSIIBFTCAI-UHFFFAOYSA-N
SMILES: NC(N)=NC1=CC=C(CC(=O)C2=CC=CC=C2)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P00749

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
SER 323 Phosphorylation PyMOL_Chai1
TYR 328 Phosphorylation PyMOL_Chai1
THR 335 Phosphorylation PyMOL_Chai1
SER 395 Phosphorylation PyMOL_Chai1