Ligand name: 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
PDB ligand accession: 320
DrugBank: DB06997
PubChem: 11560856
ChEMBL: CHEMBL503090
InChI Key: BMPOCDJEXAXXEZ-UHFFFAOYSA-N
SMILES: FC1=CC=C(CC(=O)NC(=O)NC2=CC(F)=C(OC3=CC=NC4=C3C=CN4)C=C2)C=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P08581

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 1190 Acetylation PyMOL_RFAA
LYS 1110 Acetylation PyMOL_RFAA
TYR 1093 Phosphorylation PyMOL_RFAA PyMOL_Chai1
LYS 1161 Ubiquitination
LYS 1190 Ubiquitination