Ligand name: Asciminib
PDB ligand accession: AY7
DrugBank: DB12597
PubChem: 72165228
ChEMBL: CHEMBL4208229
InChI Key: VOVZXURTCKPRDQ-CQSZACIVSA-N
SMILES: O[C@@H]1CCN(C1)C1=C(C=C(C=N1)C(=O)NC1=CC=C(OC(F)(F)Cl)C=C1)C1=CC=NN1
Drug action: n/a

List of small molecule binding-associated PTMs for P00519

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 469 Phosphorylation PyMOL_RFAA PyMOL_Chai1