Ligand name: 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM
PDB ligand accession: S14
DrugBank: DB08504
PubChem: 10320144
ChEMBL: CHEMBL237337
InChI Key: ZNHVIJAGMFQGMS-IHPCNDPISA-N
SMILES: [H][C@@](N)(C(=O)N1CC[C@]([H])(F)C1)[C@@]([H])(C(=O)N(C)C)C1=CC=C(C=C1)C1=CN2N=CN=C2C=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