PDB ligand accession: 735
DrugBank: DB07215
PubChem:
ChEMBL:
InChI Key: ILUPZUOBHCUBKB-UHFFFAOYSA-N
SMILES: CC1=C(SC(=N1)C1=CC=C(C=C1)C(F)(F)F)C(=O)NCC1=CC=C(OC(C)(C)C(O)=O)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
TYR | 314 | Phosphorylation | PyMOL_Chai1 | ||
THR | 340 | Phosphorylation | PyMOL_RFAA |