Ligand name: (2S,3S)-3-AMINO-4-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-5-YLCYCLOHEXYL)BUTANAMIDE
PDB ligand accession: 524
DrugBank: DB07135
PubChem: n/a
ChEMBL: CHEMBL400841
InChI Key: ZPWDKZWKUOYOHA-UKSSEWCLSA-N
SMILES: [H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)[C@@]1([H])CC[C@@]([H])(CC1)C1=CC=CC2=NC=NN12
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