PDB ligand accession: COA
DrugBank: DB01992
PubChem:
ChEMBL:
InChI Key: RGJOEKWQDUBAIZ-IBOSZNHHSA-N
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 327 | Acetylation | PyMOL_RFAA | ||
LYS | 383 | Acetylation | PyMOL_RFAA | ||
LYS | 404 | Acetylation | PyMOL_RFAA | ||
THR | 158 | Phosphorylation | PyMOL_RFAA | ||
SER | 162 | Phosphorylation | PyMOL_RFAA |