PDB ligand accession: M77
DrugBank: DB08162
PubChem:
ChEMBL:
InChI Key: NGOGFTYYXHNFQH-UHFFFAOYSA-N
SMILES: O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 49 | Phosphorylation | PyMOL_RFAA | ||
THR | 52 | Phosphorylation | PyMOL_RFAA | ||
SER | 54 | Phosphorylation | PyMOL_RFAA | ||
THR | 202 | Phosphorylation | PyMOL_RFAA | ||
TYR | 331 | Phosphorylation | PyMOL_Chai1 | ||
THR | 325 | Phosphorylation | PyMOL_RFAA |