PDB ligand accession: 107
DrugBank: DB06844
PubChem:
ChEMBL: n/a
InChI Key: MBXKBJLIESPLIK-UHFFFAOYSA-N
SMILES: O=C1N=C2C=CC3=C(SC=N3)C2=C1CNC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 33 | Acetylation | |||
LYS | 9 | Acetylation | |||
LYS | 20 | Acetylation | |||
THR | 14 | Phosphorylation | |||
TYR | 15 | Phosphorylation | |||
TYR | 19 | Phosphorylation | |||
THR | 47 | Phosphorylation | |||
LYS | 9 | Ubiquitination | |||
LYS | 20 | Ubiquitination | |||
LYS | 33 | Ubiquitination | |||
LYS | 129 | Ubiquitination | |||
LYS | 142 | Ubiquitination |