PDB ligand accession: CG9
DrugBank: DB12121
PubChem:
ChEMBL:
InChI Key: XSMSNFMDVXXHGJ-UHFFFAOYSA-N
SMILES: C1CN(CCO1)C1=CC=C(NC2=NC(=CN3C=CN=C23)C2=CC3=C(C=NN3)C=C2)C=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 402 | Acetylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 379 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 384 | Phosphorylation | PyMOL_Chai1 |