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 |
---|---|---|---|---|---|
LYS | 224 | Acetylation | PyMOL_Chai1 | ||
TYR | 171 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 253 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 121 | Ubiquitination | |||
LYS | 216 | Ubiquitination | |||
SER | 124 | Phosphorylation | PyMOL_Chai1 |