PDB ligand accession: DD3
DrugBank: DB07644
PubChem:
ChEMBL:
InChI Key: IDHINEMSCUFEIP-VIFPVBQESA-N
SMILES: [H][C@@](C)(OC1=C2C(N)=NC(N)=NC2=CC=C1)C1=CC(Cl)=CC=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 128 | Acetylation | PyMOL_RFAA | ||
LYS | 138 | Acetylation | PyMOL_RFAA | ||
LYS | 142 | Acetylation | PyMOL_RFAA | ||
LYS | 128 | Ubiquitination | |||
LYS | 138 | Ubiquitination | |||
LYS | 142 | Ubiquitination |