Ligand name: 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE
PDB ligand accession: LI2
DrugBank: DB08091
PubChem: 5326868
ChEMBL: CHEMBL365776
InChI Key: HIUFYIOMUILESI-UHFFFAOYSA-N
SMILES: FC1=CC(=CC(=C1)C(=O)NC1=CC=C2NC=C(CCC3=CC=NC=C3)C2=C1)N1CCOCC1
Drug action: n/a

List of small molecule binding-associated PTMs for Q16539

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 53 Acetylation PyMOL_RFAA
LYS 152 Acetylation PyMOL_RFAA
SER 28 Phosphorylation PyMOL_RFAA
SER 32 Phosphorylation PyMOL_RFAA
TYR 323 Phosphorylation PyMOL_Chai1
TYR 140 Phosphorylation PyMOL_Chai1
TYR 35 Phosphorylation PyMOL_Chai1
SER 37 Phosphorylation PyMOL_RFAA
LYS 139 Ubiquitination
LYS 152 Ubiquitination