PDB ligand accession: 4HG
DrugBank: DB07112
PubChem: 6914624;156777456;
ChEMBL:
InChI Key: FUMNLXHPILGSLC-UHFFFAOYSA-N
SMILES: OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1
Drug action: n/a
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 |