PDB ligand accession: AQ4
DrugBank: DB00530
PubChem:
ChEMBL:
InChI Key: AAKJLRGGTJKAMG-UHFFFAOYSA-N
SMILES: COCCOC1=CC2=C(C=C1OCCOC)C(NC1=CC(=CC=C1)C#C)=NC=N2
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 852 | Malonylation | |||
SER | 720 | Phosphorylation | PyMOL_Chai1 | ||
THR | 725 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 727 | Phosphorylation | PyMOL_Chai1 | ||
CYS | 797 | S-palmitoylation | PyMOL_Chai1 | ||
MET | 766 | Sulfoxidation | PyMOL_Chai1 | ||
LYS | 716 | Ubiquitination | |||
LYS | 728 | Ubiquitination | |||
LYS | 846 | Ubiquitination |