Ligand name: 2-[(Formyl-Hydroxy-Amino)-Methyl]-Heptanoic Acid [1-(2-Hydroxymethyl-Pyrrolidine-1-Carbonyl)-2-Methyl-Propyl]-Amide
PDB ligand accession: BB2
DrugBank: DB04310
PubChem: 443600
ChEMBL: CHEMBL308333
InChI Key: XJLATMLVMSFZBN-VYDXJSESSA-N
SMILES: [H][C@@](CCCCC)(CC(=O)NO)C(=O)N[C@@]([H])(C(C)C)C(=O)N1CCC[C@@]1([H])CO
Drug action: n/a

List of small molecule binding-associated PTMs for Q9HBH1

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
SER	112	Phosphorylation			PyMOL_Chai1