PDB ligand accession: ABO
DrugBank: DB07336
PubChem:
ChEMBL: n/a
InChI Key: GYPHGCGOSZJXOT-UHFFFAOYSA-N
SMILES: COC1=CC(=CC=C1O)C1=CC2=C(C=C1)C(=NN2)C1=NC2=CC=CC=C2N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | PyMOL_RFAA | ||
LYS | 54 | Acetylation | PyMOL_RFAA | ||
LYS | 145 | Ubiquitination |