Ligand name: Abemaciclib
PDB ligand accession: 6ZV
DrugBank: DB12001
PubChem: 46220502
ChEMBL: CHEMBL3301610
InChI Key: UZWDCWONPYILKI-UHFFFAOYSA-N
SMILES: CCN1CCN(CC2=CC=C(NC3=NC=C(F)C(=N3)C3=CC(F)=C4N=C(C)N(C(C)C)C4=C3)N=C2)CC1
Drug action: n/a

List of small molecule binding-associated PTMs for Q00534

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	26	Acetylation		PyMOL_RFAA
LYS	43	Acetylation		PyMOL_RFAA
TYR	24	Phosphorylation			PyMOL_Chai1
THR	154	Phosphorylation		PyMOL_RFAA
LYS	26	Ubiquitination
LYS	29	Ubiquitination
LYS	147	Ubiquitination
LYS	43	Ubiquitination
LYS	111	Ubiquitination
LYS	160	Ubiquitination