PDB ligand accession: L37
DrugBank: DB02358
PubChem: 445076;5288683;135461001;
ChEMBL: n/a
InChI Key: SZHRIPFGZWWRKW-VIFPVBQESA-N
SMILES: [H]N([H])C1=NC(=O)C(N([H])[H])=C(N([H])C(=O)N([H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N1[H]
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 10 | Acetylation | PyMOL_RFAA | ||
LYS | 56 | Acetylation | PyMOL_RFAA | ||
CYS | 236 | Glutathionylation | PyMOL_RFAA | ||
LYS | 10 | Malonylation | PyMOL_RFAA | ||
LYS | 251 | Malonylation | PyMOL_RFAA | ||
THR | 148 | Phosphorylation | PyMOL_RFAA | ||
THR | 269 | Phosphorylation | PyMOL_RFAA | ||
THR | 279 | Phosphorylation | PyMOL_RFAA |