Ligand name: Entospletinib
PDB ligand accession: CG9
DrugBank: DB12121
PubChem: 59473233
ChEMBL: CHEMBL3265032
InChI Key: XSMSNFMDVXXHGJ-UHFFFAOYSA-N
SMILES: C1CN(CCO1)C1=CC=C(NC2=NC(=CN3C=CN=C23)C2=CC3=C(C=NN3)C=C2)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P43405

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 402 Acetylation PyMOL_RFAA PyMOL_Chai1
SER 379 Phosphorylation PyMOL_RFAA PyMOL_Chai1
THR 384 Phosphorylation PyMOL_Chai1