PDB ligand accession: 585
DrugBank: DB07159
PubChem:
ChEMBL:
InChI Key: NHHQJBCNYHBUSI-UHFFFAOYSA-N
SMILES: COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1OC
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_RFAA | PyMOL_Chai1 |