PDB ligand accession: TMJ
DrugBank: DB08631
PubChem:
ChEMBL:
InChI Key: UVSIFVBCHJEYJP-UHFFFAOYSA-N
SMILES: ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1
Drug action: n/a
| Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
|---|---|---|---|---|---|
| TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
| TYR | 40 | Phosphorylation | PyMOL_Chai1 | ||
| THR | 230 | Phosphorylation | PyMOL_RFAA | ||
| TYR | 27 | Phosphorylation | PyMOL_Chai1 |