PDB ligand accession: L24
DrugBank: DB04322
PubChem: 445072;5288680;135409836;
ChEMBL: n/a
InChI Key: ZUQBAQVRAURMCL-WFASDCNBSA-N
SMILES: [H]N([H])C1=NC(=O)C2=C(N([H])C[C@@H](CCC3=CC=C(C=C3)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)C2)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 | ||
LYS | 58 | Acetylation | PyMOL_RFAA | ||
CYS | 236 | Glutathionylation | PyMOL_RFAA | ||
LYS | 10 | Malonylation | PyMOL_RFAA | ||
LYS | 251 | Malonylation | PyMOL_RFAA | ||
LYS | 58 | Malonylation | PyMOL_RFAA | ||
THR | 148 | Phosphorylation | PyMOL_RFAA | ||
THR | 269 | Phosphorylation | PyMOL_RFAA | ||
THR | 279 | Phosphorylation | PyMOL_RFAA |