Ligand name: (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one
PDB ligand accession: B98
DrugBank: DB07431
PubChem: 45273683
ChEMBL: CHEMBL555205
InChI Key: TXYKBKYDFZQOCB-SSDOTTSWSA-N
SMILES: [H][C@@]1(CN)CNC2=C(SC3=C2C=C(OC)C=C3)C(=O)N1
Drug action: n/a

List of small molecule binding-associated PTMs for P24941

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	33	Acetylation		PyMOL_RFAA
LYS	9	Acetylation		PyMOL_RFAA
LYS	20	Acetylation		PyMOL_RFAA
THR	14	Phosphorylation		PyMOL_RFAA
TYR	15	Phosphorylation			PyMOL_Chai1
TYR	19	Phosphorylation			PyMOL_Chai1
THR	165	Phosphorylation		PyMOL_RFAA
LYS	9	Ubiquitination
LYS	20	Ubiquitination
LYS	33	Ubiquitination
LYS	129	Ubiquitination
LYS	142	Ubiquitination