PDB ligand accession: LI4
DrugBank: DB08093
PubChem:
ChEMBL:
InChI Key: SZANYTFSQVBOBA-UHFFFAOYSA-N
SMILES: NC1=C(OCC2=CC=CC3=CC=CC=C23)C=CC=N1
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 53 | Acetylation | PyMOL_RFAA | ||
SER | 28 | Phosphorylation | PyMOL_RFAA | ||
SER | 32 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 24 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 35 | Phosphorylation | PyMOL_Chai1 | ||
SER | 37 | Phosphorylation | PyMOL_RFAA |