PDB ligand accession: SC8
DrugBank: DB08531
PubChem:
ChEMBL:
InChI Key: CVYWYUAQFJMLEO-UHFFFAOYSA-N
SMILES: ClC1=CC=CC(=C1Cl)C1=NC2=CC=NN2C(NCC2=CC=NC=C2)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 33 | Acetylation | PyMOL_RFAA | ||
LYS | 9 | Acetylation | PyMOL_RFAA | ||
LYS | 20 | Acetylation | PyMOL_RFAA | ||
THR | 14 | Phosphorylation | PyMOL_RFAA | ||
TYR | 15 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 19 | Phosphorylation | PyMOL_Chai1 | ||
THR | 158 | Phosphorylation | PyMOL_RFAA | ||
TYR | 159 | Phosphorylation | PyMOL_Chai1 | ||
THR | 160 | Phosphorylation | PyMOL_RFAA | ||
LYS | 9 | Ubiquitination | |||
LYS | 20 | Ubiquitination | |||
LYS | 33 | Ubiquitination | |||
LYS | 129 | Ubiquitination | |||
LYS | 142 | Ubiquitination |