Ligand name: Enasidenib
PDB ligand accession: 69Q
DrugBank: DB13874
PubChem: 89683805
ChEMBL: CHEMBL3989908
InChI Key: DYLUUSLLRIQKOE-UHFFFAOYSA-N
SMILES: CC(C)(O)CNC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C1=NC(=CC=C1)C(F)(F)F
Drug action: n/a

List of small molecule binding-associated PTMs for P48735

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 166 Acetylation PyMOL_RFAA
LYS 251 Acetylation PyMOL_RFAA
LYS 299 Acetylation PyMOL_RFAA
LYS 166 Malonylation PyMOL_RFAA
SER 301 Phosphorylation PyMOL_RFAA
SER 300 Phosphorylation PyMOL_RFAA
MET 293 Sulfoxidation PyMOL_RFAA
LYS 166 Ubiquitination