Ligand name: N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE
PDB ligand accession: 4HG
DrugBank: DB07112
PubChem: 6914624;156777456;
ChEMBL: CHEMBL509064
InChI Key: FUMNLXHPILGSLC-UHFFFAOYSA-N
SMILES: OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1
Drug action: n/a

List of small molecule binding-associated PTMs for Q9GZT9

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
TYR 329 Phosphorylation PyMOL_Chai1
THR 236 Phosphorylation PyMOL_RFAA
THR 296 Phosphorylation PyMOL_RFAA
THR 325 Phosphorylation PyMOL_RFAA
TYR 328 Phosphorylation PyMOL_Chai1
CYS 302 S-nitrosylation PyMOL_RFAA
CYS 326 S-nitrosylation PyMOL_RFAA