Ligand name: Dasatinib
PDB ligand accession: 1N1
DrugBank: DB01254
PubChem: 3062316
ChEMBL: CHEMBL1421
InChI Key: ZBNZXTGUTAYRHI-UHFFFAOYSA-N
SMILES: CC1=NC(NC2=NC=C(S2)C(=O)NC2=C(C)C=CC=C2Cl)=CC(=N1)N1CCN(CCO)CC1
Drug action: n/a

List of small molecule binding-associated PTMs for Q16539

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 53 Acetylation PyMOL_RFAA
SER 28 Phosphorylation PyMOL_RFAA
SER 32 Phosphorylation PyMOL_RFAA
TYR 24 Phosphorylation PyMOL_Chai1
TYR 35 Phosphorylation PyMOL_Chai1
SER 37 Phosphorylation PyMOL_RFAA