PDB ligand accession: 4MD
DrugBank: DB07115
PubChem:
ChEMBL: n/a
InChI Key: IPPUTOHDQOYDIL-UHFFFAOYSA-N
SMILES: CN(CC1=CC=C(Cl)C=C1)S(=O)(=O)C1=CC=C(C=C1)S(N)(=O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
SER | 61 | Phosphorylation | PyMOL_RFAA | ||
SER | 63 | Phosphorylation | PyMOL_RFAA | ||
TYR | 8 | Phosphorylation | PyMOL_Chai1 |