PDB ligand accession: A56
DrugBank: DB07319
PubChem:
ChEMBL: n/a
InChI Key: RXSSKAZHCZWJPP-UHFFFAOYSA-N
SMILES: NC1=NC(=NC(N)=N1)C1=CC2=CC=CC=C2C=C1Br
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 58 | Acetylation | PyMOL_RFAA | ||
LYS | 112 | Acetylation | PyMOL_RFAA | ||
SER | 52 | Phosphorylation | PyMOL_RFAA | ||
SER | 53 | Phosphorylation | PyMOL_RFAA | ||
THR | 94 | Phosphorylation | PyMOL_RFAA | ||
THR | 99 | Phosphorylation | PyMOL_RFAA | ||
THR | 109 | Phosphorylation | PyMOL_RFAA | ||
SER | 113 | Phosphorylation | PyMOL_RFAA | ||
THR | 115 | Phosphorylation | PyMOL_RFAA | ||
TYR | 160 | Phosphorylation | PyMOL_Chai1 | ||
SER | 50 | Phosphorylation | PyMOL_RFAA | ||
MET | 98 | Sulfoxidation | PyMOL_RFAA | ||
LYS | 58 | Ubiquitination | |||
LYS | 112 | Ubiquitination | |||
LYS | 185 | Ubiquitination | |||
THR | 90 | Phosphorylation | PyMOL_RFAA |