PDB ligand accession: 35R
DrugBank: DB05169
PubChem:
ChEMBL:
InChI Key: LOLPPWBBNUVNQZ-UHFFFAOYSA-N
SMILES: OC(NC1=CNN=C1C1=NC2=C(N1)C=CC(CN1CCOCC1)=C2)=NC1CC1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 143 | Acetylation | PyMOL_RFAA | ||
TYR | 148 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 197 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 212 | Phosphorylation | PyMOL_Chai1 | ||
SER | 266 | Phosphorylation | PyMOL_RFAA | ||
LYS | 143 | Ubiquitination | |||
LYS | 141 | Ubiquitination | |||
LYS | 258 | Acetylation | PyMOL_RFAA | ||
SER | 278 | Phosphorylation | PyMOL_RFAA | ||
LYS | 258 | Sumoylation | |||
LYS | 258 | Ubiquitination |