Ligand name: Vorinostat
PDB ligand accession: SHH
DrugBank: DB02546
PubChem: 5311
ChEMBL: CHEMBL98
InChI Key: WAEXFXRVDQXREF-UHFFFAOYSA-N
SMILES: ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1
Drug action: n/a

List of small molecule binding-associated PTMs for Q9UBN7

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 570 Phosphorylation PyMOL_RFAA PyMOL_Chai1
SER 381 Phosphorylation PyMOL_Chai1
TYR 386 Phosphorylation PyMOL_RFAA PyMOL_Chai1