Ligand name: (2R)-4-[(8R)-8-METHYL-2-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRAZIN-7(8H)-YL]-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE
PDB ligand accession: 448
DrugBank: DB07081
PubChem: 23661697
ChEMBL: CHEMBL250787
InChI Key: FDEXEPZGMKFCTG-PSASIEDQSA-N
SMILES: [H][C@](N)(CC(=O)N1CCN2N=C(N=C2[C@@]1([H])C)C(F)(F)F)CC1=C(F)C=C(F)C(F)=C1
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