PDB ligand accession: TFP
DrugBank: DB00831
PubChem:
ChEMBL:
InChI Key: ZEWQUBUPAILYHI-UHFFFAOYSA-N
SMILES: CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 21 | Acetylation | PyMOL_RFAA | ||
THR | 13 | Phosphorylation | PyMOL_RFAA | ||
TYR | 5 | Phosphorylation | PyMOL_Chai1 |