PDB ligand accession: G44
DrugBank: DB07809
PubChem:
ChEMBL: n/a
InChI Key: MBJYEMUMDMGQQC-UHFFFAOYSA-N
SMILES: CC1=CC=CC(=C1)C(=O)C1=CC=NC(NCC2=CC=C(C=C2)C(N)=N)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 599 | Acetylation | PyMOL_Chai1 | ||
SER | 539 | Phosphorylation | PyMOL_Chai1 | ||
THR | 540 | Phosphorylation | PyMOL_Chai1 |