PDB ligand accession: L09
DrugBank: DB08064
PubChem:
ChEMBL:
InChI Key: NTMADESEDXKNFZ-UHFFFAOYSA-N
SMILES: CC(C)(C)C1=NNC(NC(=O)NC2=CC=C(Cl)C(COC3=CC=CN=C3)=C2)=C1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | PyMOL_RFAA | ||
LYS | 152 | Acetylation | PyMOL_RFAA | ||
SER | 28 | Phosphorylation | PyMOL_RFAA | ||
SER | 32 | Phosphorylation | PyMOL_RFAA | ||
TYR | 323 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 140 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
SER | 37 | Phosphorylation | PyMOL_RFAA | ||
LYS | 152 | Ubiquitination |