PDB ligand accession: TF3
DrugBank: DB08610
PubChem:
ChEMBL:
InChI Key: DFXJYVQAAFOZDP-UHFFFAOYSA-N
SMILES: CC(C)C1=CC=C(COC2=C(Cl)C=C(CC(=O)NCCN)C=C2)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 129 | Phosphorylation | PyMOL_RFAA | ||
TYR | 306 | Phosphorylation | PyMOL_Chai1 | ||
THR | 310 | Phosphorylation | PyMOL_RFAA | ||
TYR | 328 | Phosphorylation | PyMOL_Chai1 | ||
SER | 305 | Phosphorylation | PyMOL_RFAA | ||
TYR | 308 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 374 | Phosphorylation | PyMOL_Chai1 |