Ligand name: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide
PDB ligand accession: P1E
DrugBank: DB08341
PubChem: 25920890
ChEMBL: CHEMBL509485
InChI Key: CAUFYHKGKDJMQG-HZPDHXFCSA-N
SMILES: [H][C@]1(CCC[C@@]1([H])N(C)C)NC1=NC(NC2=CC=C(C=C2)S(=O)(=O)NC)=NC=C1C(F)(F)F
Drug action: n/a

List of small molecule binding-associated PTMs for Q14289

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 564 Acetylation PyMOL_RFAA
TYR 440 Phosphorylation PyMOL_RFAA PyMOL_Chai1
LYS 564 Ubiquitination
LYS 457 Ubiquitination