Ligand name: Berotralstat
PDB ligand accession: 0RI
DrugBank: DB15982
PubChem: 137528262
ChEMBL: CHEMBL5189739
InChI Key: UXNXMBYCBRBRFD-MUUNZHRXSA-N
SMILES: NCC1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=CC(=CC=C1F)[C@H](NCC1CC1)C1=CC=CC(=C1)C#N)C(F)(F)F
Drug action: n/a

List of small molecule binding-associated PTMs for P03952

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
ARG	604	Methylation		PyMOL_RFAA	PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1
ARG	605	Methylation		PyMOL_RFAA	PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1
THR	520	Phosphorylation			PyMOL_Chai1
SER	525	Phosphorylation			PyMOL_Chai1