PDB ligand accession: BTN
DrugBank: DB00121
PubChem:
ChEMBL:
InChI Key: YBJHBAHKTGYVGT-ZKWXMUAHSA-N
SMILES: [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 106 | Phosphorylation | PyMOL_RFAA | ||
SER | 103 | Phosphorylation | PyMOL_RFAA | ||
TYR | 107 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |