PDB ligand accession: 5ID
DrugBank: DB04604
PubChem:
ChEMBL:
InChI Key: WHSIXKUPQCKWBY-IOSLPCCCSA-N
SMILES: [H][C@]1(CO)O[C@@]([H])(N2C=C(I)C3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 51 | Malonylation | PyMOL_RFAA | ||
TYR | 71 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 93 | Phosphorylation | PyMOL_Chai1 | ||
LYS | 51 | Ubiquitination | |||
LYS | 167 | Ubiquitination |