Ligand name: (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE
PDB ligand accession: DLI
DrugBank: DB07666
PubChem: 16750059
ChEMBL: CHEMBL1232261
InChI Key: OAWGQHXWGXOUKV-BEFAXECRSA-N
SMILES: [H][C@]1(N)CN(C[C@]1([H])C1=CC(F)=C(F)C=C1F)C1=CC(=NC=N1)C1=CC(=CC=C1)S(C)(=O)=O
Drug action: n/a

List of small molecule binding-associated PTMs for P27487

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
SER 630 Phosphorylation PyMOL_RFAA
TYR 631 Phosphorylation PyMOL_RFAA PyMOL_Chai1