PDB ligand accession: 057
DrugBank: DB06834
PubChem:
ChEMBL:
InChI Key: XZRYCTLOGNCQDG-UHFFFAOYSA-N
SMILES: CN1C=C(C2=CC3=CC=CN=C3N2)C2=CC(=CC=C12)C(=O)NC(C)(C)CO
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 402 | Acetylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 384 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 379 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 |